[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[4-(1-azepanyl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(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=C(C=C2)NC(=O)C[NH2+]CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS/c23-19(15-20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-1-2-4-12-22/h5-10,13,20H,1-4,11-12,14-15H2,(H,21,23)/p+1