N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)propyl]-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-(4-bromophenyl)propyl]acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(4-bromophenyl)propyl]acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(4-bromophenyl)propyl]acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-(4-bromophenyl)propyl]acetamide Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C[NH+]2CCCN(CC2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O2/c1-3-17(15-5-7-16(19)8-6-15)20-18(24)13-21-9-4-10-22(12-11-21)14(2)23/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)/p+1/t17-/m0/s1