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

Systemtic Name: N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Openeye Name: N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide CAS Name: N-[(6R)-6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Traditional Name: N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O2S2/c1-13-5-6-14-16(12-13)27-19(21-18(24)15-4-3-11-26-15)17(14)20(25)23-9-7-22(2)8-10-23/h3-4,11,13H,5-10,12H2,1-2H3,(H,21,24)/p+1/t13-/m1/s1