N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-thienyl]benzamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4OS/c1-17-18(2)29-23(25-22(28)19-8-4-3-5-9-19)20(17)16-26-12-14-27(15-13-26)21-10-6-7-11-24-21/h3-11H,12-16H2,1-2H3,(H,25,28)/p+1