[2-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: [2-[4-(azepane-1-carbonyl)anilino]-2-oxo-ethyl]-benzyl-ammonium CAS Name: [2-[4-[1-azepanyl(oxo)methyl]anilino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: [2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]-benzylazanium Traditional Name: [2-[4-(azepane-1-carbonyl)anilino]-2-keto-ethyl]-benzyl-ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c26-21(17-23-16-18-8-4-3-5-9-18)24-20-12-10-19(11-13-20)22(27)25-14-6-1-2-7-15-25/h3-5,8-13,23H,1-2,6-7,14-17H2,(H,24,26)/p+1