N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C[NH+]2CCCN(CC2)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCCN(CC2)C(=O)C)C

InChI

InChI=1S/C19H29N3O2/c1-14-6-7-18(12-15(14)2)16(3)20-19(24)13-21-8-5-9-22(11-10-21)17(4)23/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,20,24)/p+1/t16-/m0/s1