N-[6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: N-[6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c1-15-8-9-17-18(14-15)28-21(23-20(26)16-6-4-3-5-7-16)19(17)22(27)25-12-10-24(2)11-13-25/h3-7,15H,8-14H2,1-2H3,(H,23,26)/p+1