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

Systemtic Name: (2-methylphenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: o-tolyl(piperazin-4-ium-1-yl)methanone CAS Name: (2-methylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (2-methylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: o-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=C1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

InChI

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