4-(1-azanylpentyl)-2-ethyl-2-(naphthalen-1-ylmethyl)-5-nitro-isoindol-2-ium-1,3-dione

Systemtic Name: 4-(1-azanylpentyl)-2-ethyl-2-(naphthalen-1-ylmethyl)-5-nitro-isoindol-2-ium-1,3-dione Openeye Name: 4-(1-aminopentyl)-2-ethyl-2-(1-naphthylmethyl)-5-nitro-isoindolin-2-ium-1,3-dione CAS Name: 4-(1-aminopentyl)-2-ethyl-2-(1-naphthalenylmethyl)-5-nitroisoindol-2-ium-1,3-dione IUPAC Name: 4-(1-aminopentyl)-2-ethyl-2-(naphthalen-1-ylmethyl)-5-nitroisoindol-2-ium-1,3-dione Traditional Name: 4-(1-aminopentyl)-2-ethyl-2-(1-naphthylmethyl)-5-nitro-isoindolin-2-ium-1,3-quinone Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=CC2=C1C(=O)[N+](C2=O)(CC)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])N

Isomeric SMILES

CCCCC(C1=C(C=CC2=C1C(=O)[N+](C2=O)(CC)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])N

InChI

InChI=1S/C26H28N3O4/c1-3-5-13-21(27)24-22(28(32)33)15-14-20-23(24)26(31)29(4-2,25(20)30)16-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,14-15,21H,3-5,13,16,27H2,1-2H3/q+1