[2-(1-carboxy-5-methyl-2-propan-2-yl-cyclohexyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-dimethyl-tetradecan-2-yl-azanium

Systemtic Name: [2-(1-carboxy-5-methyl-2-propan-2-yl-cyclohexyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-dimethyl-tetradecan-2-yl-azanium Openeye Name: [1-(1-carboxy-2-isopropyl-5-methyl-cyclohexyl)-2-hydroxy-1-methyl-2-oxo-ethyl]-dimethyl-(1-methyltridecyl)ammonium CAS Name: [2-(1-carboxy-5-methyl-2-propan-2-ylcyclohexyl)-1-hydroxy-1-oxopropan-2-yl]-dimethyl-tetradecan-2-ylammonium IUPAC Name: [2-(1-carboxy-5-methyl-2-propan-2-ylcyclohexyl)-1-hydroxy-1-oxopropan-2-yl]-dimethyl-tetradecan-2-ylazanium Traditional Name: [1-(1-carboxy-2-isopropyl-5-methyl-cyclohexyl)-2-hydroxy-2-keto-1-methyl-ethyl]-dimethyl-(1-methyltridecyl)ammonium Formula: C30H58NO4+ MolecularWeight: 496.78582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(C(=O)O)C1(CC(CCC1C(C)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(C(=O)O)C1(CC(CCC1C(C)C)C)C(=O)O

InChI

InChI=1S/C30H57NO4/c1-9-10-11-12-13-14-15-16-17-18-19-25(5)31(7,8)29(6,27(32)33)30(28(34)35)22-24(4)20-21-26(30)23(2)3/h23-26H,9-22H2,1-8H3,(H-,32,33,34,35)/p+1