N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Openeye Name: N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine CAS Name: N-[4-(1-pyrrolidin-1-iumyl)butyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinamine IUPAC Name: N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-amine Traditional Name: 4-pyrrolidin-1-ium-1-ylbutyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amine Formula: C21H33N5+2 MolecularWeight: 355.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C21H31N5/c1-2-10-19-18(9-1)21(22-11-3-4-12-25-13-5-6-14-25)24-20(23-19)17-26-15-7-8-16-26/h1-2,9-10H,3-8,11-17H2,(H,22,23,24)/p+2