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

Systemtic Name: methyl 2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]benzoate Openeye Name: methyl 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]benzoate CAS Name: 2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]benzoate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-20(25)18-9-5-6-10-19(18)23-21(26)22-17-11-13-24(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,22,23,26)/p+1