methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 4-[[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H24N2O4/c1-26-21(25)17-8-6-16(7-9-17)20(24)22-14-18-4-2-3-5-19(18)15-23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24)/p+1