2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H27N6O+ MolecularWeight: 355.45728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H26N6O/c20-19-15-5-1-2-6-16(15)21-17(22-19)13-23-9-11-24(12-10-23)14-18(26)25-7-3-4-8-25/h1-2,5-6H,3-4,7-14H2,(H2,20,21,22)/p+1