1-[4-(1,4-diazepan-4-ium-1-yl)-4-oxidanylidene-butyl]pyridin-4-one

Systemtic Name: 1-[4-(1,4-diazepan-4-ium-1-yl)-4-oxidanylidene-butyl]pyridin-4-one Openeye Name: 1-[4-(1,4-diazepan-4-ium-1-yl)-4-oxo-butyl]pyridin-4-one CAS Name: 1-[4-(1,4-diazepan-4-ium-1-yl)-4-oxobutyl]-4-pyridinone IUPAC Name: 1-[4-(1,4-diazepan-4-ium-1-yl)-4-oxobutyl]pyridin-4-one Traditional Name: 1-[4-(1,4-diazepan-4-ium-1-yl)-4-keto-butyl]-4-pyridone Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCCN2C=CC(=O)C=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCCN2C=CC(=O)C=C2

InChI

InChI=1S/C14H21N3O2/c18-13-4-10-16(11-5-13)8-1-3-14(19)17-9-2-6-15-7-12-17/h4-5,10-11,15H,1-3,6-9,12H2/p+1