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

Systemtic Name: [2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-(azepan-1-yl)anilino]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[2-(1-azepanyl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[2-(azepan-1-yl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[2-(azepan-1-yl)anilino]-2-keto-ethyl]-(2-thenyl)ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH2+]CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C19H25N3OS/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,7-10,13,20H,1-2,5-6,11-12,14-15H2,(H,21,23)/p+1