ethyl 4-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]benzoate CAS Name: 4-[[[(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]benzoate Traditional Name: 4-[(1-methylpiperidin-1-ium-4-yl)carbamoylamino]benzoic acid ethyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3O3/c1-3-22-15(20)12-4-6-13(7-5-12)17-16(21)18-14-8-10-19(2)11-9-14/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,21)/p+1