3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-14(2)11-17(20)19-9-7-18(8-10-19)13-16-6-4-5-15(3)12-16/h4-6,12,14H,7-11,13H2,1-3H3/p+1