[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [2-[4-(1-azepanyl)anilino]-2-oxoethyl]-tert-butylammonium IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-tert-butylazanium Traditional Name: [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-tert-butyl-ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C18H29N3O/c1-18(2,3)19-14-17(22)20-15-8-10-16(11-9-15)21-12-6-4-5-7-13-21/h8-11,19H,4-7,12-14H2,1-3H3,(H,20,22)/p+1