ethyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[4-(1-pyrrolidin-1-iumylmethyl)anilino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-2-27-20(25)17-7-11-19(12-8-17)23-21(26)22-18-9-5-16(6-10-18)15-24-13-3-4-14-24/h5-12H,2-4,13-15H2,1H3,(H2,22,23,26)/p+1