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

Systemtic Name: [2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: [2-[2-(azepan-1-yl)anilino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [2-[2-(1-azepanyl)anilino]-2-oxoethyl]-phenethylammonium IUPAC Name: [2-[2-(azepan-1-yl)anilino]-2-oxoethyl]-phenethylazanium Traditional Name: [2-[2-(azepan-1-yl)anilino]-2-keto-ethyl]-phenethyl-ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c26-22(18-23-15-14-19-10-4-3-5-11-19)24-20-12-6-7-13-21(20)25-16-8-1-2-9-17-25/h3-7,10-13,23H,1-2,8-9,14-18H2,(H,24,26)/p+1