methyl-[(4S)-7-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: methyl-[(4S)-7-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-[(4S)-7-oxo-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]ammonium CAS Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[(4S)-7-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-4-azepanyl]ammonium IUPAC Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[(4S)-7-oxo-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]azanium Traditional Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-[(4S)-7-keto-1-(2-piperidin-1-ium-1-ylethyl)azepan-4-yl]-methyl-ammonium Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(C1=CC=CC=C1)O)C2CCC(=O)N(CC2)CC[NH+]3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](C1=CC=CC=C1)O)[C@H]2CCC(=O)N(CC2)CC[NH+]3CCCCC3

InChI

InChI=1S/C22H35N3O2/c1-23(18-21(26)19-8-4-2-5-9-19)20-10-11-22(27)25(15-12-20)17-16-24-13-6-3-7-14-24/h2,4-5,8-9,20-21,26H,3,6-7,10-18H2,1H3/p+2/t20-,21-/m0/s1