1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]pyrrole-2-carbohydrazide

Systemtic Name: 1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]pyrrole-2-carbohydrazide Openeye Name: 1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]pyrrole-2-carbohydrazide CAS Name: 1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2-pyrrolecarbohydrazide IUPAC Name: 1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]pyrrole-2-carbohydrazide Traditional Name: 1-methyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]pyrrole-2-carbohydrazide Formula: C12H22N5O3S+ MolecularWeight: 316.39978

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)NN)C

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)NN)C

InChI

InChI=1S/C12H21N5O3S/c1-15-4-3-5-17(7-6-15)21(19,20)10-8-11(12(18)14-13)16(2)9-10/h8-9H,3-7,13H2,1-2H3,(H,14,18)/p+1