(4-bromanyl-1-methyl-pyrrol-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-1-methyl-pyrrol-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-1-methyl-pyrrol-2-yl)methanone CAS Name: (4-bromo-1-methyl-2-pyrrolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-1-methylpyrrol-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-bromo-1-methyl-pyrrol-2-yl)methanone Formula: C17H21BrN3O+ MolecularWeight: 363.27214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H20BrN3O/c1-19-13-15(18)11-16(19)17(22)21-9-7-20(8-10-21)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3/p+1