propyl 4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoic acid propyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H25N3O4/c1-2-11-25-18(24)14-3-5-15(6-4-14)20-16(22)12-21-9-7-13(8-10-21)17(19)23/h3-6,13H,2,7-12H2,1H3,(H2,19,23)(H,20,22)/p+1