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

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-(2-ethylanilino)-2-keto-ethyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C22H31N5O2+2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H29N5O2/c1-3-18-8-4-5-9-19(18)24-21(28)16-25(2)17-22(29)27-14-12-26(13-15-27)20-10-6-7-11-23-20/h4-11H,3,12-17H2,1-2H3,(H,24,28)/p+2