6-chloranyl-4-methyl-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride

Systemtic Name: 6-chloranyl-4-methyl-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride Openeye Name: 6-chloro-4-methyl-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride CAS Name: 6-chloro-4-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride IUPAC Name: 6-chloro-4-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride Traditional Name: 6-chloro-4-methyl-spiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azinan-1-ium] chloride Formula: C18H21Cl2N MolecularWeight: 322.27204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=CC3=C1C[N+]4(C3)CCCCC4)Cl.[Cl-]

Isomeric SMILES

CC1=C2C=C(C=CC2=CC3=C1C[N+]4(C3)CCCCC4)Cl.[Cl-]

InChI

InChI=1S/C18H21ClN.ClH/c1-13-17-10-16(19)6-5-14(17)9-15-11-20(12-18(13)15)7-3-2-4-8-20;/h5-6,9-10H,2-4,7-8,11-12H2,1H3;1H/q+1;/p-1