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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C17H26N2O/c1-3-4-5-17(20)19-12-10-18(11-13-19)14-16-8-6-15(2)7-9-16/h6-9H,3-5,10-14H2,1-2H3/p+1