1-[(S)-(3-bromophenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine

Systemtic Name: 1-[(S)-(3-bromophenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine Openeye Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-bromophenyl)methyl]piperazine CAS Name: 1-[(S)-(3-bromophenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine IUPAC Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-bromophenyl)methyl]piperazine Traditional Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-bromophenyl)methyl]piperazine Formula: C21H24BrN4+ MolecularWeight: 412.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC(=CC=C2)Br)C3=[N+](C=CN3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)[C@@H](C2=CC(=CC=C2)Br)C3=[N+](C=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23BrN4/c22-19-8-4-7-18(15-19)20(25-12-9-23-10-13-25)21-24-11-14-26(21)16-17-5-2-1-3-6-17/h1-8,11,14-15,20,23H,9-10,12-13,16H2/p+1/t20-/m0/s1