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

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H28N6O/c21-20-16-6-2-3-7-17(16)22-18(23-20)14-24-10-12-25(13-11-24)15-19(27)26-8-4-1-5-9-26/h2-3,6-7H,1,4-5,8-15H2,(H2,21,22,23)/p+1