1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(4-methylphenyl)methyl]piperazine

Systemtic Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(4-methylphenyl)methyl]piperazine Openeye Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(p-tolyl)methyl]piperazine CAS Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(4-methylphenyl)methyl]piperazine IUPAC Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(4-methylphenyl)methyl]piperazine Traditional Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(p-tolyl)methyl]piperazine Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=[N+](C=CN2)C)N3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=[N+](C=CN2)C)N3CCNCC3

InChI

InChI=1S/C16H22N4/c1-13-3-5-14(6-4-13)15(16-18-9-10-19(16)2)20-11-7-17-8-12-20/h3-6,9-10,15,17H,7-8,11-12H2,1-2H3/p+1/t15-/m0/s1