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

Systemtic Name: ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(m-anisidino)ethyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C22H31N5O3+2 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-3-25(16-21(28)24-18-7-6-8-19(15-18)30-2)17-22(29)27-13-11-26(12-14-27)20-9-4-5-10-23-20/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,28)/p+2