3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2-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=C1C[NH+]2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC(C)C

InChI

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