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

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrazole-4-sulfonamide Formula: C20H32N5O2S+ MolecularWeight: 406.56538

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O2S/c1-5-24(6-2)28(26,27)20-17(3)21-25(18(20)4)16-22-12-14-23(15-13-22)19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3/p+1