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

Systemtic Name: 2-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 2-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 2-methyl-N-[(6S)-6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 2-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 2-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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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=C4C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C23H29N3O2S/c1-15-8-9-18-19(14-15)29-22(24-21(27)17-7-5-4-6-16(17)2)20(18)23(28)26-12-10-25(3)11-13-26/h4-7,15H,8-14H2,1-3H3,(H,24,27)/p+1/t15-/m0/s1