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

Systemtic Name: 1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]butan-1-one Openeye Name: 1-(4-cyclopentylphenyl)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]butan-1-one CAS Name: 1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-butanone IUPAC Name: 1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]butan-1-one Traditional Name: 1-(4-cyclopentylphenyl)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]butan-1-one Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)C4CCCC4

InChI

InChI=1S/C26H34N2O/c1-21-7-2-5-10-25(21)28-19-17-27(18-20-28)16-6-11-26(29)24-14-12-23(13-15-24)22-8-3-4-9-22/h2,5,7,10,12-15,22H,3-4,6,8-9,11,16-20H2,1H3/p+1