1-(4-aminophenyl)carbonyloxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium chloride

Systemtic Name: 1-(4-aminophenyl)carbonyloxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium chloride Openeye Name: 1-[(4-aminobenzoyl)oxymethyl]propyl-(1-isobutyl-3-methyl-butyl)ammonium chloride CAS Name: 1-[(4-aminophenyl)-oxomethoxy]butan-2-yl-(2,6-dimethylheptan-4-yl)ammonium chloride IUPAC Name: 1-(4-aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium chloride Traditional Name: 1-[(4-aminobenzoyl)oxymethyl]propyl-(1-isobutyl-3-methyl-butyl)ammonium chloride Formula: C20H35ClN2O2 MolecularWeight: 370.9571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C(CC(C)C)CC(C)C.[Cl-]

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C(CC(C)C)CC(C)C.[Cl-]

InChI

InChI=1S/C20H34N2O2.ClH/c1-6-18(22-19(11-14(2)3)12-15(4)5)13-24-20(23)16-7-9-17(21)10-8-16;/h7-10,14-15,18-19,22H,6,11-13,21H2,1-5H3;1H