methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-4-(4-methylpiperazine-1-carbonyl)-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-4-(4-methylpiperazine-1-carbonyl)-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@]([NH+]2C)(C)C(=O)OC)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H31N3O3/c1-15-8-6-7-9-16(15)18-17(14-21(2,23(18)4)20(26)27-5)19(25)24-12-10-22(3)11-13-24/h6-9,17-18H,10-14H2,1-5H3/p+1/t17-,18-,21-/m0/s1