tert-butyl 1-[3-[[6-azanyl-9-(2-oxidanyl-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propanoyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[3-[[6-azanyl-9-(2-oxidanyl-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propanoyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[3-[[6-amino-9-(2-hydroxy-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propanoyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[3-[[6-amino-9-(2-hydroxy-3-phenoxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]-1-oxopropyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[[6-amino-9-(2-hydroxy-3-phenoxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propanoyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[3-[[6-amino-9-(2-hydroxy-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl]oxy]propanoyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C33H47N2O6+ MolecularWeight: 567.73608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)C(=O)CCOC2=CC3=C(C=C2)C(CCC(C3)N)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)C(=O)CCOC2=CC3=C(C=C2)C(CCC(C3)N)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C33H47N2O6/c1-33(2,3)41-32(38)35(17-8-5-9-18-35)31(37)16-19-39-29-14-15-30-24(12-13-26(34)20-25(30)22-29)21-27(36)23-40-28-10-6-4-7-11-28/h4,6-7,10-11,14-15,22,24,26-27,36H,5,8-9,12-13,16-21,23,34H2,1-3H3/q+1