N,N-diethyl-6-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumyl]-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-6-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-sulfonamide Formula: C22H29N6O3S+ MolecularWeight: 457.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H28N6O3S/c1-3-28(4-2)32(30,31)17-9-10-21(23-15-17)27-13-11-26(12-14-27)16-20-24-19-8-6-5-7-18(19)22(29)25-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,25,29)/p+1