ethyl 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]benzoate CAS Name: 4-[[[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoylamino]benzoate Traditional Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]benzoic acid ethyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O4/c1-3-30-22(27)18-6-10-19(11-7-18)25-23(28)24-16-21(26-14-4-5-15-26)17-8-12-20(29-2)13-9-17/h6-13,21H,3-5,14-16H2,1-2H3,(H2,24,25,28)/p+1/t21-/m0/s1