(3-pyrrol-1-ylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-pyrrol-1-ylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-pyrrol-1-ylphenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-pyrrolyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-pyrrol-1-ylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-pyrrol-1-ylphenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H21N3OS/c24-20(17-5-3-6-18(15-17)22-8-1-2-9-22)23-12-10-21(11-13-23)16-19-7-4-14-25-19/h1-9,14-15H,10-13,16H2/p+1