1-[4-[(4-methoxyphenyl)methyl]-4-methyl-piperazin-4-ium-1-yl]hexadecan-1-one chloride

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]-4-methyl-piperazin-4-ium-1-yl]hexadecan-1-one chloride Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]-4-methyl-piperazin-4-ium-1-yl]hexadecan-1-one chloride CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-4-methyl-1-piperazin-4-iumyl]-1-hexadecanone chloride IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]-4-methylpiperazin-4-ium-1-yl]hexadecan-1-one chloride Traditional Name: 1-(4-methyl-4-p-anisyl-piperazin-4-ium-1-yl)hexadecan-1-one chloride Formula: C29H51ClN2O2 MolecularWeight: 495.18044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)30-22-24-31(2,25-23-30)26-27-18-20-28(33-3)21-19-27;/h18-21H,4-17,22-26H2,1-3H3;1H/q+1;/p-1