[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl]ammonium CAS Name: [3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]methyl]ammonium Formula: C29H34N4O3+2 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O3/c1-35-23-12-13-27(36-2)26(18-23)33-28(31-25-11-7-6-10-24(25)29(33)34)19-30-22-14-16-32(17-15-22)20-21-8-4-3-5-9-21/h3-13,18,22,30H,14-17,19-20H2,1-2H3/p+2