1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-2,3-dihydroindole

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-2,3-dihydroindole Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]indoline CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-2,3-dihydroindole IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-2,3-dihydroindole Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]indoline Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-20-10-12-21(13-11-20)28(26,27)16-6-7-18(19(14-16)23(24)25)22-9-8-15-4-2-3-5-17(15)22/h2-7,14H,8-13H2,1H3/p+1