3-[3-[4-(1H-indol-3-yl)pyridin-1-ium-1-yl]propyl]-6,7-dimethoxy-quinazolin-4-one

Systemtic Name: 3-[3-[4-(1H-indol-3-yl)pyridin-1-ium-1-yl]propyl]-6,7-dimethoxy-quinazolin-4-one Openeye Name: 3-[3-[4-(1H-indol-3-yl)pyridin-1-ium-1-yl]propyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 3-[3-[4-(1H-indol-3-yl)-1-pyridin-1-iumyl]propyl]-6,7-dimethoxy-4-quinazolinone IUPAC Name: 3-[3-[4-(1H-indol-3-yl)pyridin-1-ium-1-yl]propyl]-6,7-dimethoxyquinazolin-4-one Traditional Name: 3-[3-[4-(1H-indol-3-yl)pyridin-1-ium-1-yl]propyl]-6,7-dimethoxy-quinazolin-4-one Formula: C26H25N4O3+ MolecularWeight: 441.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC[N+]3=CC=C(C=C3)C4=CNC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC[N+]3=CC=C(C=C3)C4=CNC5=CC=CC=C54)OC

InChI

InChI=1S/C26H24N4O3/c1-32-24-14-20-23(15-25(24)33-2)28-17-30(26(20)31)11-5-10-29-12-8-18(9-13-29)21-16-27-22-7-4-3-6-19(21)22/h3-4,6-9,12-17H,5,10-11H2,1-2H3/p+1