[azanyl-(2,3,4-triaminocarbonyl-5-carboxy-naphthalen-1-yl)methylidene]-bis(3-methoxypropyl)azanium

Systemtic Name: [azanyl-(2,3,4-triaminocarbonyl-5-carboxy-naphthalen-1-yl)methylidene]-bis(3-methoxypropyl)azanium Openeye Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-1-naphthyl)methylene]-bis(3-methoxypropyl)ammonium CAS Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-1-naphthalenyl)methylidene]-bis(3-methoxypropyl)ammonium IUPAC Name: [amino-(2,3,4-tricarbamoyl-5-carboxynaphthalen-1-yl)methylidene]-bis(3-methoxypropyl)azanium Traditional Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-1-naphthyl)methylene]-bis(3-methoxypropyl)ammonium Formula: C23H30N5O7+ MolecularWeight: 488.5136

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+](=C(C1=C(C(=C(C2=C1C=CC=C2C(=O)O)C(=O)N)C(=O)N)C(=O)N)N)CCCOC

Isomeric SMILES

COCCC[N+](=C(C1=C(C(=C(C2=C1C=CC=C2C(=O)O)C(=O)N)C(=O)N)C(=O)N)N)CCCOC

InChI

InChI=1S/C23H29N5O7/c1-34-10-4-8-28(9-5-11-35-2)19(24)15-12-6-3-7-13(23(32)33)14(12)16(20(25)29)18(22(27)31)17(15)21(26)30/h3,6-7,24H,4-5,8-11H2,1-2H3,(H7,25,26,27,29,30,31,32,33)/p+1