ethanedioate; (1-methoxy-3-pyrrolidin-1-ium-1-yl-propan-2-yl) N-(2-propoxyphenyl)carbamate

Systemtic Name: ethanedioate; (1-methoxy-3-pyrrolidin-1-ium-1-yl-propan-2-yl) N-(2-propoxyphenyl)carbamate Openeye Name: [1-(methoxymethyl)-2-pyrrolidin-1-ium-1-yl-ethyl] N-(2-propoxyphenyl)carbamate; oxalate CAS Name: oxalate; N-(2-propoxyphenyl)carbamic acid [1-methoxy-3-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: (1-methoxy-3-pyrrolidin-1-ium-1-ylpropan-2-yl) N-(2-propoxyphenyl)carbamate; oxalate Traditional Name: oxalate; N-(2-propoxyphenyl)carbamic acid [1-(methoxymethyl)-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C38H58N4O12 MolecularWeight: 762.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)COC.CCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)COC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)COC.CCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)COC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C18H28N2O4.C2H2O4/c2*1-3-12-23-17-9-5-4-8-16(17)19-18(21)24-15(14-22-2)13-20-10-6-7-11-20;3-1(4)2(5)6/h2*4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)