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

Systemtic Name: 3,3-dimethyl-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-15-5-7-16(8-6-15)14-19-9-11-20(12-10-19)17(21)13-18(2,3)4/h5-8H,9-14H2,1-4H3/p+1