methyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 4-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)20-11-9-19(10-12-20)21(25)23-15-17-5-7-18(8-6-17)16-24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3,(H,23,25)/p+1