N-(2-ethylphenyl)-2-[4-[2-[(2-methoxyphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-[(2-methoxyphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[2-(2-methoxyanilino)-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(o-anisidino)nicotinoyl]piperazin-1-ium-1-yl]acetamide Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)NC4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H31N5O3/c1-3-20-9-4-5-11-22(20)29-25(33)19-31-15-17-32(18-16-31)27(34)21-10-8-14-28-26(21)30-23-12-6-7-13-24(23)35-2/h4-14H,3,15-19H2,1-2H3,(H,28,30)(H,29,33)/p+1