N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H29N3OS+2 MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3OS/c1-23-11-13-24(14-12-23)15-18-17-9-5-6-10-19(17)26-21(18)22-20(25)16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25)/p+2