[4-(4-azanyl-6,7-dimethoxy-quinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-3-ium-2-yl)piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolin-3-iumyl)-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-3-ium-2-yl)piperazino]-(2-furyl)methanone Formula: C19H22N5O4+ MolecularWeight: 384.40908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[NH+]C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[NH+]C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

InChI

InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)/p+1