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

Systemtic Name: (5S)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H26N4OS/c1-14-3-5-17-15(11-14)12-18(26-17)20(25)22-16-4-6-19(21-13-16)24-9-7-23(2)8-10-24/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1