dimethyl-[2-[6-methyl-4-oxidanylidene-2-phenethyl-3-[(4S)-4-phenylazepan-1-yl]carbonyl-pyridin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[6-methyl-4-oxidanylidene-2-phenethyl-3-[(4S)-4-phenylazepan-1-yl]carbonyl-pyridin-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[6-methyl-4-oxo-2-phenethyl-3-[(4S)-4-phenylazepane-1-carbonyl]-1-pyridyl]ethyl]ammonium CAS Name: dimethyl-[2-[6-methyl-4-oxo-3-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]-2-phenethyl-1-pyridinyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[6-methyl-4-oxo-2-phenethyl-3-[(4S)-4-phenylazepane-1-carbonyl]pyridin-1-yl]ethyl]azanium Traditional Name: 2-[4-keto-6-methyl-2-phenethyl-3-[(4S)-4-phenylazepane-1-carbonyl]-1-pyridyl]ethyl-dimethyl-ammonium Formula: C31H40N3O2+ MolecularWeight: 486.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O2/c1-24-23-29(35)30(28(34(24)22-21-32(2)3)17-16-25-11-6-4-7-12-25)31(36)33-19-10-15-27(18-20-33)26-13-8-5-9-14-26/h4-9,11-14,23,27H,10,15-22H2,1-3H3/p+1/t27-/m0/s1