6-(4-ethanoyl-1,4-diazepan-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-ethanoyl-1,4-diazepan-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-acetyl-1,4-diazepan-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-acetyl-1,4-diazepan-1-yl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-acetyl-1,4-diazepan-1-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-acetyl-1,4-diazepan-1-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C21H27N5O2/c1-17(27)25-12-5-13-26(15-14-25)20-9-8-18(16-24-20)21(28)23-11-4-7-19-6-2-3-10-22-19/h2-3,6,8-10,16H,4-5,7,11-15H2,1H3,(H,23,28)/p+1