methyl 2-[(1-propylpiperidin-1-ium-4-yl)carbamoylamino]benzoate

Systemtic Name: methyl 2-[(1-propylpiperidin-1-ium-4-yl)carbamoylamino]benzoate Openeye Name: methyl 2-[(1-propylpiperidin-1-ium-4-yl)carbamoylamino]benzoate CAS Name: 2-[[oxo-[(1-propyl-4-piperidin-1-iumyl)amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-propylpiperidin-1-ium-4-yl)carbamoylamino]benzoate Traditional Name: 2-[(1-propylpiperidin-1-ium-4-yl)carbamoylamino]benzoic acid methyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H25N3O3/c1-3-10-20-11-8-13(9-12-20)18-17(22)19-15-7-5-4-6-14(15)16(21)23-2/h4-7,13H,3,8-12H2,1-2H3,(H2,18,19,22)/p+1