4-(1-azanylpentyl)-2-[(2,3-dimethoxyphenyl)methyl]-2-ethyl-5-nitro-isoindol-2-ium-1,3-dione

Systemtic Name: 4-(1-azanylpentyl)-2-[(2,3-dimethoxyphenyl)methyl]-2-ethyl-5-nitro-isoindol-2-ium-1,3-dione Openeye Name: 4-(1-aminopentyl)-2-[(2,3-dimethoxyphenyl)methyl]-2-ethyl-5-nitro-isoindolin-2-ium-1,3-dione CAS Name: 4-(1-aminopentyl)-2-[(2,3-dimethoxyphenyl)methyl]-2-ethyl-5-nitroisoindol-2-ium-1,3-dione IUPAC Name: 4-(1-aminopentyl)-2-[(2,3-dimethoxyphenyl)methyl]-2-ethyl-5-nitroisoindol-2-ium-1,3-dione Traditional Name: 4-(1-aminopentyl)-2-ethyl-5-nitro-2-o-veratryl-isoindolin-2-ium-1,3-quinone Formula: C24H30N3O6+ MolecularWeight: 456.5115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=CC2=C1C(=O)[N+](C2=O)(CC)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CCCCC(C1=C(C=CC2=C1C(=O)[N+](C2=O)(CC)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C24H30N3O6/c1-5-7-10-17(25)21-18(26(30)31)13-12-16-20(21)24(29)27(6-2,23(16)28)14-15-9-8-11-19(32-3)22(15)33-4/h8-9,11-13,17H,5-7,10,14,25H2,1-4H3/q+1