[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] octadecyl phosphate hydrate

Systemtic Name: [1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] octadecyl phosphate hydrate Openeye Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl) octadecyl phosphate hydrate CAS Name: [1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl] octadecyl phosphate hydrate IUPAC Name: (1-benzyl-1-methylpiperidin-1-ium-4-yl) octadecyl phosphate hydrate Traditional Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl) stearyl phosphate hydrate Formula: C31H58NO5P MolecularWeight: 555.769681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)CC2=CC=CC=C2.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)CC2=CC=CC=C2.O

InChI

InChI=1S/C31H56NO4P.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-35-37(33,34)36-31-24-26-32(2,27-25-31)29-30-22-19-18-20-23-30;/h18-20,22-23,31H,3-17,21,24-29H2,1-2H3;1H2