6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline perchlorate

Systemtic Name: 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline perchlorate Openeye Name: 6-butoxy-1-[(E)-styryl]-3,4-dihydroisoquinoline perchlorate CAS Name: 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline perchlorate IUPAC Name: 6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline perchlorate Traditional Name: 6-butoxy-1-[(E)-styryl]-3,4-dihydroisoquinoline perchlorate Formula: C21H23ClNO5- MolecularWeight: 404.86402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C=CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C=C/C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H23NO.ClHO4/c1-2-3-15-23-19-10-11-20-18(16-19)13-14-22-21(20)12-9-17-7-5-4-6-8-17;2-1(3,4)5/h4-12,16H,2-3,13-15H2,1H3;(H,2,3,4,5)/p-1/b12-9+;