N-(3-chloranyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]acetamide IUPAC Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O2/c1-17-20(24)8-5-9-21(17)26-22(28)15-25-23(29)16-27-12-10-19(11-13-27)14-18-6-3-2-4-7-18/h2-9,19H,10-16H2,1H3,(H,25,29)(H,26,28)/p+1