1-[2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-[2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-ium-1-carboxylic acid Openeye Name: 1-[2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-ium-1-carboxylic acid CAS Name: 1-[2-(4,4-diethylcyclohexyl)-5-methoxyphenyl]-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-[2-(4,4-diethylcyclohexyl)-5-methoxyphenyl]piperazin-1-ium-1-carboxylic acid Traditional Name: 1-[2-(4,4-diethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-ium-1-carboxylic acid Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=C(C=C(C=C2)OC)[N+]3(CCNCC3)C(=O)O)CC

Isomeric SMILES

CCC1(CCC(CC1)C2=C(C=C(C=C2)OC)[N+]3(CCNCC3)C(=O)O)CC

InChI

InChI=1S/C22H34N2O3/c1-4-22(5-2)10-8-17(9-11-22)19-7-6-18(27-3)16-20(19)24(21(25)26)14-12-23-13-15-24/h6-7,16-17,23H,4-5,8-15H2,1-3H3/p+1