2-chloranyl-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline

Systemtic Name: 2-chloranyl-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Openeye Name: 2-chloro-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline CAS Name: 2-chloro-6,7-dimethoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]quinazoline IUPAC Name: 2-chloro-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Traditional Name: 2-chloro-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazino)quinazoline Formula: C19H21ClN5O2+ MolecularWeight: 386.85534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C19H20ClN5O2/c1-26-15-11-13-14(12-16(15)27-2)22-19(20)23-18(13)25-9-7-24(8-10-25)17-5-3-4-6-21-17/h3-6,11-12H,7-10H2,1-2H3/p+1