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

Systemtic Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]-5-nitro-indol-2-one Openeye Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]-5-nitro-indol-2-one CAS Name: 3-[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]-5-nitro-2-indolone IUPAC Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]-5-nitroindol-2-one Traditional Name: 3-[[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amino]-5-nitro-indol-2-one Formula: C19H19ClN5O3+ MolecularWeight: 400.83886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3/c20-16-4-2-1-3-13(16)12-23-7-9-24(10-8-23)22-18-15-11-14(25(27)28)5-6-17(15)21-19(18)26/h1-6,11H,7-10,12H2,(H,21,22,26)/p+1