N-[5-ethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-yl-methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-pyridyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methyl-1-piperazine-1,4-diiumyl)-pyridin-4-ylmethyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-(4-pyridyl)methyl]-2-thienyl]benzamide Formula: C24H30N4OS+2 MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=NC=C3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=NC=C3)[NH+]4CC[NH+](CC4)C

InChI

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