N1,N4-dibutyl-6-methoxy-benzo[g]phthalazin-2-ium-1,4-diamine chloride

Systemtic Name: N1,N4-dibutyl-6-methoxy-benzo[g]phthalazin-2-ium-1,4-diamine chloride Openeye Name: N1,N4-dibutyl-6-methoxy-benzo[g]phthalazin-2-ium-1,4-diamine chloride CAS Name: N1,N4-dibutyl-6-methoxybenzo[g]phthalazin-2-ium-1,4-diamine chloride IUPAC Name: 1-N,4-N-dibutyl-6-methoxybenzo[g]phthalazin-2-ium-1,4-diamine chloride Traditional Name: butyl-[1-(butylamino)-6-methoxy-benzo[g]phthalazin-2-ium-4-yl]amine chloride Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]N=C(C2=C1C=C3C=CC=C(C3=C2)OC)NCCCC.[Cl-]

Isomeric SMILES

CCCCNC1=[NH+]N=C(C2=C1C=C3C=CC=C(C3=C2)OC)NCCCC.[Cl-]

InChI

InChI=1S/C21H28N4O.ClH/c1-4-6-11-22-20-17-13-15-9-8-10-19(26-3)16(15)14-18(17)21(25-24-20)23-12-7-5-2;/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,22,24)(H,23,25);1H