2-(1-carboxy-5-methyl-2-propan-2-yl-cyclohexyl)-2-[dimethyl(tetradecan-2-yl)azaniumyl]propanoate

Systemtic Name: 2-(1-carboxy-5-methyl-2-propan-2-yl-cyclohexyl)-2-[dimethyl(tetradecan-2-yl)azaniumyl]propanoate Openeye Name: 2-(1-carboxy-2-isopropyl-5-methyl-cyclohexyl)-2-[dimethyl(1-methyltridecyl)ammonio]propanoate CAS Name: 2-(1-carboxy-5-methyl-2-propan-2-ylcyclohexyl)-2-[dimethyl(tetradecan-2-yl)ammonio]propanoate IUPAC Name: 2-(1-carboxy-5-methyl-2-propan-2-ylcyclohexyl)-2-[dimethyl(tetradecan-2-yl)azaniumyl]propanoate Traditional Name: 2-(1-carboxy-2-isopropyl-5-methyl-cyclohexyl)-2-[dimethyl(1-methyltridecyl)ammonio]propionate Formula: C30H57NO4 MolecularWeight: 495.77788

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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)