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

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c1-23-11-13-24(14-12-23)21(26)18-16-9-5-6-10-17(16)27-20(18)22-19(25)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3,(H,22,25)/p+1