[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]methanone CAS Name: [2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]methanone Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c1-18-15-22(19(2)26(18)17-21-9-6-14-28-21)23(27)25-12-10-24(11-13-25)16-20-7-4-3-5-8-20/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1