methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(4-methoxy-2,5-dimethyl-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C3CCCCC3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3CCCCC3)C)OC

InChI

InChI=1S/C23H34N2O4/c1-15-11-21(28-3)16(2)10-18(15)13-25-14-19(12-20(25)23(27)29-4)24-22(26)17-8-6-5-7-9-17/h10-11,17,19-20H,5-9,12-14H2,1-4H3,(H,24,26)/p+1/t19-,20-/m0/s1