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

Systemtic Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(m-tolyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(m-tolyl)methyl]piperazin-4-ium Formula: C16H24N4+2 MolecularWeight: 272.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=[N+](C=CN2)C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C2=[N+](C=CN2)C)N3CC[NH2+]CC3

InChI

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