[2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-butyl-azanium

Systemtic Name: [2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-butyl-azanium Openeye Name: [2-[2-(azepan-1-yl)anilino]-2-oxo-ethyl]-butyl-ammonium CAS Name: [2-[2-(1-azepanyl)anilino]-2-oxoethyl]-butylammonium IUPAC Name: [2-[2-(azepan-1-yl)anilino]-2-oxoethyl]-butylazanium Traditional Name: [2-[2-(azepan-1-yl)anilino]-2-keto-ethyl]-butyl-ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(=O)NC1=CC=CC=C1N2CCCCCC2

Isomeric SMILES

CCCC[NH2+]CC(=O)NC1=CC=CC=C1N2CCCCCC2

InChI

InChI=1S/C18H29N3O/c1-2-3-12-19-15-18(22)20-16-10-6-7-11-17(16)21-13-8-4-5-9-14-21/h6-7,10-11,19H,2-5,8-9,12-15H2,1H3,(H,20,22)/p+1