N,N-diethyl-3,5-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Formula: C19H32N6O2S+2 MolecularWeight: 408.56138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C19H30N6O2S/c1-5-24(6-2)28(26,27)19-16(3)21-25(17(19)4)15-22-11-13-23(14-12-22)18-7-9-20-10-8-18/h7-10H,5-6,11-15H2,1-4H3/p+2