4-(1-benzothiophen-3-ylmethyl)-N-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1-benzothiophen-3-ylmethyl)-N-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(benzothiophen-3-ylmethyl)-N-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1-benzothiophen-3-ylmethyl)-N-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1-benzothiophen-3-ylmethyl)-N-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(benzothiophen-3-ylmethyl)-N-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C20H22N4OS/c25-20(22-13-17-5-3-4-8-21-17)24-11-9-23(10-12-24)14-16-15-26-19-7-2-1-6-18(16)19/h1-8,15H,9-14H2,(H,22,25)/p+1