N,N-diethyl-3,5-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide Formula: C18H30N7O2S+ MolecularWeight: 408.5415

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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=NC=CC=N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H29N7O2S/c1-5-24(6-2)28(26,27)17-15(3)21-25(16(17)4)14-22-10-12-23(13-11-22)18-19-8-7-9-20-18/h7-9H,5-6,10-14H2,1-4H3/p+1