2-[(Z)-5-methoxycarbonyl-2-methyl-hept-4-enoyl]oxyethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(Z)-5-methoxycarbonyl-2-methyl-hept-4-enoyl]oxyethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(Z)-5-methoxycarbonyl-2-methyl-hept-4-enoyl]oxyethyl]-dimethyl-ammonium CAS Name: 2-[(Z)-5-methoxycarbonyl-2-methyl-1-oxohept-4-enoxy]ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(Z)-5-methoxycarbonyl-2-methylhept-4-enoyl]oxyethyl]-dimethylazanium Traditional Name: benzyl-[2-[(Z)-5-carbomethoxy-2-methyl-hept-4-enoyl]oxyethyl]-dimethyl-ammonium Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCC(C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC/C(=C/CC(C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1)/C(=O)OC

InChI

InChI=1S/C21H32NO4/c1-6-19(21(24)25-5)13-12-17(2)20(23)26-15-14-22(3,4)16-18-10-8-7-9-11-18/h7-11,13,17H,6,12,14-16H2,1-5H3/q+1/b19-13-