(6S)-6-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C

InChI

InChI=1S/C23H30N4O2S/c1-16-8-9-18-19(14-16)30-23(21(18)22(29)24-17-6-4-3-5-7-17)25-20(28)15-27-12-10-26(2)11-13-27/h3-7,16H,8-15H2,1-2H3,(H,24,29)(H,25,28)/p+1/t16-/m0/s1