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

Systemtic Name: 3-cyclopentyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3CCCC3

InChI

InChI=1S/C20H30N2O/c1-17-6-2-5-9-19(17)16-21-12-14-22(15-13-21)20(23)11-10-18-7-3-4-8-18/h2,5-6,9,18H,3-4,7-8,10-16H2,1H3/p+1