methyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)19-10-8-18(9-11-19)20(24)22-14-16-4-6-17(7-5-16)15-23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3,(H,22,24)/p+1