2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-indol-1-ium-2-yl]-6-cyclopentyloxy-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-indol-1-ium-2-yl]-6-cyclopentyloxy-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-indol-1-ium-2-yl]-6-(cyclopentoxy)phenolate CAS Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-indol-1-ium-2-yl]-6-cyclopentyloxyphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-indol-1-ium-2-yl]-6-cyclopentyloxyphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-indol-1-ium-2-yl]-6-(cyclopentoxy)phenolate Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2[O-])C3C=C4C=C(C(=CC4=[NH+]3)Cl)C(=[NH2+])N

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2[O-])C3C=C4C=C(C(=CC4=[NH+]3)Cl)C(=[NH2+])N

InChI

InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,17,25H,1-2,4-5H2,(H3,22,23)/p+1