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

Systemtic Name: (3-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-pyrrol-1-ylphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-pyrrolyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-pyrrol-1-ylphenyl)-[4-(3-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=CSC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

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