diethyl-[(3S)-1-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]pyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]pyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[(4S)-7-oxo-1-(2-phenoxyethyl)-4-azepanyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[(4S)-7-keto-1-(2-phenoxyethyl)azepan-4-yl]pyrrolidin-3-yl]ammonium Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)[C@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c1-3-23(4-2)20-13-15-25(18-20)19-10-11-22(26)24(14-12-19)16-17-27-21-8-6-5-7-9-21/h5-9,19-20H,3-4,10-18H2,1-2H3/p+1/t19-,20-/m0/s1