(3-methylphenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-methylphenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: m-tolyl(piperazin-4-ium-1-yl)methanone CAS Name: (3-methylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-methylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: m-tolyl(piperazin-4-ium-1-yl)methanone Formula: C12H17N2O+ MolecularWeight: 205.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3/p+1