[N'-[[6-oxidanylidene-8-[(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-3-yl-propyl)carbamoyl]quinolizin-3-yl]methyl]carbamimidoyl]azanium

Systemtic Name: [N'-[[6-oxidanylidene-8-[(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-3-yl-propyl)carbamoyl]quinolizin-3-yl]methyl]carbamimidoyl]azanium Openeye Name: [N'-[[8-[(3-hydroxy-3-oxo-1-pyridin-1-ium-3-yl-propyl)carbamoyl]-6-oxo-quinolizin-3-yl]methyl]carbamimidoyl]ammonium CAS Name: [amino-[[8-[[[3-hydroxy-3-oxo-1-(3-pyridin-1-iumyl)propyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]methylimino]methyl]ammonium IUPAC Name: [N'-[[8-[(3-hydroxy-3-oxo-1-pyridin-1-ium-3-ylpropyl)carbamoyl]-6-oxoquinolizin-3-yl]methyl]carbamimidoyl]azanium Traditional Name: [N'-[[8-[(3-hydroxy-3-keto-1-pyridin-1-ium-3-yl-propyl)carbamoyl]-6-keto-quinolizin-3-yl]methyl]amidino]ammonium Formula: C20H22N6O4+2 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CN=C([NH3+])N

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CN=C([NH3+])N

InChI

InChI=1S/C20H20N6O4/c21-20(22)24-9-12-3-4-15-6-14(7-17(27)26(15)11-12)19(30)25-16(8-18(28)29)13-2-1-5-23-10-13/h1-7,10-11,16H,8-9H2,(H,25,30)(H,28,29)(H4,21,22,24)/p+2