6-butoxy-1-[(E)-2-cyclohexylethenyl]-3,4-dihydroisoquinoline; nitric acid

Systemtic Name: 6-butoxy-1-[(E)-2-cyclohexylethenyl]-3,4-dihydroisoquinoline; nitric acid Openeye Name: 6-butoxy-1-[(E)-2-cyclohexylvinyl]-3,4-dihydroisoquinoline; nitric acid CAS Name: 6-butoxy-1-[(E)-2-cyclohexylethenyl]-3,4-dihydroisoquinoline; nitric acid IUPAC Name: 6-butoxy-1-[(E)-2-cyclohexylethenyl]-3,4-dihydroisoquinoline; nitric acid Traditional Name: 6-butoxy-1-[(E)-2-cyclohexylvinyl]-3,4-dihydroisoquinoline; nitric acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C=CC3CCCCC3.[N+](=O)(O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C=C/C3CCCCC3.[N+](=O)(O)[O-]

InChI

InChI=1S/C21H29NO.HNO3/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/h9-12,16-17H,2-8,13-15H2,1H3;(H,2,3,4)/b12-9+;