[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(2-pyridyl)methanone Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H21N3O/c1-15-5-4-6-16(13-15)14-20-9-11-21(12-10-20)18(22)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3/p+1