(2-methylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone Openeye Name: [(3R)-3-methylpiperazin-4-ium-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[(3R)-3-methyl-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methylphenyl)-[(3R)-3-methylpiperazin-4-ium-1-yl]methanone Traditional Name: [(3R)-3-methylpiperazin-4-ium-1-yl]-(o-tolyl)methanone Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C

Isomeric SMILES

C[C@@H]1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C13H18N2O/c1-10-5-3-4-6-12(10)13(16)15-8-7-14-11(2)9-15/h3-6,11,14H,7-9H2,1-2H3/p+1/t11-/m1/s1