methyl 3-[(2-ethoxyphenyl)carbamoylamino]-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[(2-ethoxyphenyl)carbamoylamino]-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate CAS Name: 3-[[(2-ethoxyanilino)-oxomethyl]amino]-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-[(2-ethoxyphenyl)carbamoylamino]benzoate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(o-phenetylcarbamoylamino)benzoic acid methyl ester Formula: C30H36N3O4+ MolecularWeight: 502.62454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H35N3O4/c1-3-37-28-15-8-7-13-27(28)32-30(35)31-26-14-9-12-24(29(34)36-2)25(26)21-33-18-16-23(17-19-33)20-22-10-5-4-6-11-22/h4-15,23H,3,16-21H2,1-2H3,(H2,31,32,35)/p+1