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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC(=CC=C1)OC)CC(=O)N2CCN(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)16-21(28)26-12-10-25(11-13-26)19-8-3-4-9-22-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)/p+2