4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-(2-thienylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide IUPAC Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-(2-thenyl)-1,4-diazepan-1-ium-1-yl]methyl]benzamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=CC=CS2)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=CC=CS2)CC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H23N3OS/c19-18(22)16-6-4-15(5-7-16)13-20-8-2-9-21(11-10-20)14-17-3-1-12-23-17/h1,3-7,12H,2,8-11,13-14H2,(H2,19,22)/p+1