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

Systemtic Name: 4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H21N6O2S+ MolecularWeight: 409.48474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H20N6O2S/c21-13-15-5-7-16(8-6-15)29(27,28)26-11-9-25(10-12-26)14-19-23-18-4-2-1-3-17(18)20(22)24-19/h1-8H,9-12,14H2,(H2,22,23,24)/p+1