[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H30N2O4/c1-16-2-8-19(9-3-16)22-20(24)15-27-21(25)18-6-4-17(5-7-18)14-23-10-12-26-13-11-23/h4-7,16,19H,2-3,8-15H2,1H3,(H,22,24)/p+1