methyl 3-oxidanyl-4-[[4-(propylcarbamoyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[[4-(propylcarbamoyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[4-(propylcarbamoyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-[oxo(propylamino)methyl]-1-piperidin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[4-(propylcarbamoyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[4-(propylcarbamoyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

Isomeric SMILES

CCCNC(=O)C1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

InChI

InChI=1S/C22H28N2O4/c1-3-10-23-21(26)15-8-11-24(12-9-15)14-19-17-7-5-4-6-16(17)13-18(20(19)25)22(27)28-2/h4-7,13,15,25H,3,8-12,14H2,1-2H3,(H,23,26)/p+1