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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S/c1-26-11-13-27(14-12-26)16-20(28)25-23-21(18-9-5-6-10-19(18)30-23)22(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3,(H,24,29)(H,25,28)/p+1