4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate

Systemtic Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Openeye Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate CAS Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium perchlorate IUPAC Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Traditional Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium perchlorate Formula: C18H21ClO5 MolecularWeight: 352.80934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[O+]C=C(C2=C1CCCC2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC1=[O+]C=C(C2=C1CCCC2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H21O.ClHO4/c1-2-8-18-16-12-7-6-11-15(16)17(13-19-18)14-9-4-3-5-10-14;2-1(3,4)5/h3-5,9-10,13H,2,6-8,11-12H2,1H3;(H,2,3,4,5)/q+1;/p-1