N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methyl-1-piperazin-4-iumyl)-(2-pyridinyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-2-thienyl]benzamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=CC=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@@H](C3=CC=CC=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H28N4OS/c1-3-19-17-20(24(30-19)26-23(29)18-9-5-4-6-10-18)22(21-11-7-8-12-25-21)28-15-13-27(2)14-16-28/h4-12,17,22H,3,13-16H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1