1-[[(2S)-1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[[(2S)-1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[(2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea CAS Name: 1-[[(2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-2-piperidin-1-iumyl]methyl]-3-phenylurea IUPAC Name: 1-[[(2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenylurea Traditional Name: 1-[[(2S)-1-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea Formula: C24H30N5O4+ MolecularWeight: 452.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCC3CNC(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCC[C@H]3CNC(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29N5O4/c1-32-20-12-18-19(13-21(20)33-2)27-22(28-23(18)30)15-29-11-7-6-10-17(29)14-25-24(31)26-16-8-4-3-5-9-16/h3-5,8-9,12-13,17H,6-7,10-11,14-15H2,1-2H3,(H2,25,26,31)(H,27,28,30)/p+1/t17-/m0/s1