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

Systemtic Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium Openeye Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium CAS Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydro-2-benzopyran-2-ium IUPAC Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium Traditional Name: 4-phenyl-1-propyl-5,6,7,8-tetrahydroisochromen-2-ium Formula: C18H21O+ MolecularWeight: 253.35874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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