2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=NC4=CC=CC=C4C(=N3)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=NC4=CC=CC=C4C(=N3)N)OC

InChI

InChI=1S/C21H24N4O2/c1-26-14-9-10-16(19(12-14)27-2)18-8-5-11-25(18)13-20-23-17-7-4-3-6-15(17)21(22)24-20/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H2,22,23,24)/p+1/t18-/m1/s1