2-[2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C24H24N5O+ MolecularWeight: 398.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C24H23N5O/c25-11-14-29-23(27-22-8-4-2-6-19(22)24(29)30)16-28-12-9-17(10-13-28)20-15-26-21-7-3-1-5-18(20)21/h1-8,15,17,26H,9-10,12-14,16H2/p+1