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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: (4-chlorobenzyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C20H22ClN4+ MolecularWeight: 353.86848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)13-22-20-17-5-1-2-6-18(17)23-19(24-20)14-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,22,23,24)/p+1