methyl 1-[[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-15-13-19(7-8-20(15)23)24-21(26)17-5-3-16(4-6-17)14-25-11-9-18(10-12-25)22(27)28-2/h3-8,13,18H,9-12,14H2,1-2H3,(H,24,26)/p+1