3-(benzotriazol-1-yl)propyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]ammonium Formula: C25H32N7+ MolecularWeight: 430.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4)C)C

InChI

InChI=1S/C25H31N7/c1-17-15-21-19(3)27-25(28-23(21)16-18(17)2)31-13-9-20(10-14-31)26-11-6-12-32-24-8-5-4-7-22(24)29-30-32/h4-5,7-8,15-16,20,26H,6,9-14H2,1-3H3/p+1