methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[3-(4-methylphenyl)-1-oxopropyl]amino]-1-(1-methyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(1-methylpiperidin-1-ium-4-yl)-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2CC([NH+](C2)C3CC[NH+](CC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N[C@@H]2C[C@H]([NH+](C2)C3CC[NH+](CC3)C)C(=O)OC

InChI

InChI=1S/C22H33N3O3/c1-16-4-6-17(7-5-16)8-9-21(26)23-18-14-20(22(27)28-3)25(15-18)19-10-12-24(2)13-11-19/h4-7,18-20H,8-15H2,1-3H3,(H,23,26)/p+2/t18-,20+/m1/s1