2-[[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]amino]-3-pyrrolidin-1-ium-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-[[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]amino]-3-pyrrolidin-1-ium-1-yl-naphthalene-1,4-dione Openeye Name: 2-[4-[(Z)-N-hydroxy-C-methyl-carbonimidoyl]anilino]-3-pyrrolidin-1-ium-1-yl-naphthalene-1,4-dione CAS Name: 2-[4-[(1Z)-1-hydroxyiminoethyl]anilino]-3-(1-pyrrolidin-1-iumyl)naphthalene-1,4-dione IUPAC Name: 2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]anilino]-3-pyrrolidin-1-ium-1-ylnaphthalene-1,4-dione Traditional Name: 2-(4-acetohydroximoylanilino)-3-pyrrolidin-1-ium-1-yl-1,4-naphthoquinone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[NH+]4CCCC4

Isomeric SMILES

C/C(=N/O)/C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[NH+]4CCCC4

InChI

InChI=1S/C22H21N3O3/c1-14(24-28)15-8-10-16(11-9-15)23-19-20(25-12-4-5-13-25)22(27)18-7-3-2-6-17(18)21(19)26/h2-3,6-11,23,28H,4-5,12-13H2,1H3/p+1/b24-14-