methyl (2S,4R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-(naphthalen-1-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-(naphthalen-1-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-(naphthalene-1-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-[[1-naphthalenyl(oxo)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(naphthalene-1-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2,4-dimethoxy-3-methyl-benzyl)-4-(1-naphthoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H31N2O5+ MolecularWeight: 463.54544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C27H30N2O5/c1-17-24(32-2)13-12-19(25(17)33-3)15-29-16-20(14-23(29)27(31)34-4)28-26(30)22-11-7-9-18-8-5-6-10-21(18)22/h5-13,20,23H,14-16H2,1-4H3,(H,28,30)/p+1/t20-,23+/m1/s1