N'-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(3-chloro-2-methyl-5-pyrazolo[1,5-a]quinazolinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: (3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C18H18ClN6+ MolecularWeight: 353.82872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)NCCNC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)NCCNC4=CC=CC=[NH+]4

InChI

InChI=1S/C18H17ClN6/c1-12-16(19)18-23-17(13-6-2-3-7-14(13)25(18)24-12)22-11-10-21-15-8-4-5-9-20-15/h2-9H,10-11H2,1H3,(H,20,21)(H,22,23)/p+1