5-nitro-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one

Systemtic Name: 5-nitro-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-nitro-indol-2-one CAS Name: 5-nitro-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]-2-indolone IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-nitroindol-2-one Traditional Name: 3-[(4-benzylpiperazin-4-ium-1-yl)amino]-5-nitro-indol-2-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c25-19-18(16-12-15(24(26)27)6-7-17(16)20-19)21-23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21,25)/p+1