1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one chloride

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]tetradecan-1-one chloride Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)tetradecan-1-one chloride CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-tetradecanone chloride IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)tetradecan-1-one chloride Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)tetradecan-1-one chloride Formula: C26H45ClN2O MolecularWeight: 437.1013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-16-19-26(29)27-20-22-28(2,23-21-27)24-25-17-14-13-15-18-25;/h13-15,17-18H,3-12,16,19-24H2,1-2H3;1H/q+1;/p-1