3-(3-chloranyl-4-methyl-phenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolin-2-one CAS Name: 3-(3-chloro-4-methylphenyl)imino-1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-indolone IUPAC Name: 3-(3-chloro-4-methylphenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxindole Formula: C26H25ClN5O3+ MolecularWeight: 490.9614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H24ClN5O3/c1-18-6-7-19(16-23(18)27)28-25-22-4-2-3-5-24(22)31(26(25)33)17-29-12-14-30(15-13-29)20-8-10-21(11-9-20)32(34)35/h2-11,16H,12-15,17H2,1H3/p+1