N-[(4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: p-anisyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-26-17-10-8-16(9-11-17)14-22-21-18-6-2-3-7-19(18)23-20(24-21)15-25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,24)/p+1