N-cyclopropyl-2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

InChI

InChI=1S/C22H28N4O2S/c27-19(23-16-7-8-16)15-24-11-13-25(14-12-24)21(28)20-17-5-1-2-6-18(17)29-22(20)26-9-3-4-10-26/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,23,27)/p+1