[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrol-1-yl-2-thienyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolyl)-2-thiophenyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrol-1-yl-2-thienyl)methanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

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