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

Systemtic Name: 1-[[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl]piperidin-1-ium-4-carboxamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-14-12-18(6-7-19(14)22)24-21(27)17-4-2-15(3-5-17)13-25-10-8-16(9-11-25)20(23)26/h2-7,12,16H,8-11,13H2,1H3,(H2,23,26)(H,24,27)/p+1