2-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-chloranyl-phenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-chloranyl-phenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)-3-chloro-phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)-3-chlorophenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)-3-chlorophenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[4-(3-amino-1H-isoindol-2-ium-2-yl)-2-chloro-phenyl]-3H-isoindol-2-ium-1-yl]amine Formula: C22H19ClN4+2 MolecularWeight: 374.86606

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC(=C(C=C3)[N+]4=C(C5=CC=CC=C5C4)N)Cl)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC(=C(C=C3)[N+]4=C(C5=CC=CC=C5C4)N)Cl)N

InChI

InChI=1S/C22H17ClN4/c23-19-11-16(26-12-14-5-1-3-7-17(14)21(26)24)9-10-20(19)27-13-15-6-2-4-8-18(15)22(27)25/h1-11,24-25H,12-13H2/p+2