1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one

Systemtic Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one Openeye Name: 1-[4-ethyl-4-(m-tolylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one CAS Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-tetradecanone IUPAC Name: 1-[4-ethyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]tetradecan-1-one Traditional Name: 1-[4-ethyl-4-(3-methylbenzyl)piperazin-4-ium-1-yl]tetradecan-1-one Formula: C28H49N2O+ MolecularWeight: 429.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC(=C2)C

InChI

InChI=1S/C28H49N2O/c1-4-6-7-8-9-10-11-12-13-14-15-19-28(31)29-20-22-30(5-2,23-21-29)25-27-18-16-17-26(3)24-27/h16-18,24H,4-15,19-23,25H2,1-3H3/q+1