1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O2/c1-16-13-19(7-8-20(16)23)25-21(27)15-26-11-9-18(10-12-26)22(28)24-14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,28)(H,25,27)/p+1