4-bromanyl-N-[1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-bromanyl-N-[1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-bromo-N-[1-[2-(2-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-bromo-N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-bromo-N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-bromo-N-[1-[2-keto-2-(o-phenetidino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O3/c1-2-29-20-6-4-3-5-19(20)25-21(27)15-26-13-11-18(12-14-26)24-22(28)16-7-9-17(23)10-8-16/h3-10,18H,2,11-15H2,1H3,(H,24,28)(H,25,27)/p+1