N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: [2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]-veratryl-amine Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4)OC

InChI

InChI=1S/C22H26N4O2/c1-27-19-10-9-16(13-20(19)28-2)14-23-22-17-7-3-4-8-18(17)24-21(25-22)15-26-11-5-6-12-26/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,23,24,25)/p+1