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

Systemtic Name: 1-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O3/c1-29-20-8-7-18(23)13-19(20)25-21(27)15-26-11-9-17(10-12-26)22(28)24-14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,28)(H,25,27)/p+1