N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H29N5O3S/c1-16-14-17(2)25(22-16)9-5-8-21-20(26)18-6-4-7-19(15-18)29(27,28)24-12-10-23(3)11-13-24/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,21,26)/p+1