N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H29N6O4S+ MolecularWeight: 437.53636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H28N6O4S/c1-15-13-16(2)24(21-15)8-4-7-20-18-6-5-17(14-19(18)25(26)27)30(28,29)23-11-9-22(3)10-12-23/h5-6,13-14,20H,4,7-12H2,1-3H3/p+1