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

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-pentoxyphenyl)imino-indol-2-one Openeye Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-pentoxyphenyl)imino-indolin-2-one CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-(4-pentoxyphenyl)imino-2-indolone IUPAC Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-pentoxyphenyl)iminoindol-2-one Traditional Name: 3-(4-amoxyphenyl)imino-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxindole Formula: C30H34N5O4+ MolecularWeight: 528.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O4/c1-2-3-6-21-39-26-15-9-23(10-16-26)31-29-27-7-4-5-8-28(27)34(30(29)36)22-32-17-19-33(20-18-32)24-11-13-25(14-12-24)35(37)38/h4-5,7-16H,2-3,6,17-22H2,1H3/p+1