methyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]benzoate Openeye Name: methyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]benzoate CAS Name: 4-[[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]benzoic acid methyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)C(=O)OC)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)C(=O)OC)[NH+]2CCOCC2

InChI

InChI=1S/C17H24N2O4/c1-17(2,19-8-10-23-11-9-19)12-18-15(20)13-4-6-14(7-5-13)16(21)22-3/h4-7H,8-12H2,1-3H3,(H,18,20)/p+1