N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H29N5O3/c1-25(16-21(28)24-18-7-5-8-20(14-18)30-2)22(29)17-27-12-10-26(11-13-27)15-19-6-3-4-9-23-19/h3-9,14H,10-13,15-17H2,1-2H3,(H,24,28)/p+1