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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: 2-(4-methoxyphenyl)ethyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N4O/c1-27-18-10-8-17(9-11-18)12-13-23-22-19-6-2-3-7-20(19)24-21(25-22)16-26-14-4-5-15-26/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,24,25)/p+1