4-azulen-1-yl-1,2,6-trimethyl-pyridin-1-ium perchlorate

Systemtic Name: 4-azulen-1-yl-1,2,6-trimethyl-pyridin-1-ium perchlorate Openeye Name: 4-azulen-1-yl-1,2,6-trimethyl-pyridin-1-ium perchlorate CAS Name: 4-(1-azulenyl)-1,2,6-trimethylpyridin-1-ium perchlorate IUPAC Name: 4-azulen-1-yl-1,2,6-trimethylpyridin-1-ium perchlorate Traditional Name: 4-azulen-1-yl-1,2,6-trimethyl-pyridin-1-ium perchlorate Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C)C)C2=C3C=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C)C)C2=C3C=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H18N.ClHO4/c1-13-11-16(12-14(2)19(13)3)18-10-9-15-7-5-4-6-8-17(15)18;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1