4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2,1,3-benzoxadiazole

Systemtic Name: 4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2,1,3-benzoxadiazole Openeye Name: 4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2,1,3-benzoxadiazole CAS Name: 4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2,1,3-benzoxadiazole Traditional Name: 4-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzofurazan Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O3S/c24-27(25,18-9-4-8-17-19(18)21-26-20-17)23-12-5-11-22(14-15-23)13-10-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2/p+1