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

Systemtic Name: 1-[(S)-(3-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine Openeye Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-methoxyphenyl)methyl]piperazine CAS Name: 1-[(S)-(3-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazine IUPAC Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-methoxyphenyl)methyl]piperazine Traditional Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-methoxyphenyl)methyl]piperazine Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=[N+](C=CN2)CC3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C2=[N+](C=CN2)CC3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C22H26N4O/c1-27-20-9-5-8-19(16-20)21(25-13-10-23-11-14-25)22-24-12-15-26(22)17-18-6-3-2-4-7-18/h2-9,12,15-16,21,23H,10-11,13-14,17H2,1H3/p+1/t21-/m0/s1