[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(1-azepanyl)anilino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-22(14-17-10-13-25-16-17)15-20(24)21-18-6-8-19(9-7-18)23-11-4-2-3-5-12-23/h6-10,13,16H,2-5,11-12,14-15H2,1H3,(H,21,24)/p+1