1-[(S)-(4-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-methoxyphenyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(4-methoxyphenyl)methyl]piperazin-4-ium Formula: C22H28N4O+2 MolecularWeight: 364.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=[N+](C=CN2)CC3=CC=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=[N+](C=CN2)CC3=CC=CC=C3)N4CC[NH2+]CC4

InChI

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