1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H29ClN3O3+ MolecularWeight: 430.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O3/c1-16-12-20(21(30-2)13-19(16)24)26-22(28)15-27-10-8-18(9-11-27)23(29)25-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,25,29)(H,26,28)/p+1