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

Systemtic Name: N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N5O3+2 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O3/c1-24(15-20(27)23-17-6-5-7-18(14-17)29-2)21(28)16-25-10-12-26(13-11-25)19-8-3-4-9-22-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)/p+2