5-methyl-2-[(6S)-6-pentyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]phenol

Systemtic Name: 5-methyl-2-[(6S)-6-pentyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]phenol Openeye Name: 5-methyl-2-[(6S)-6-pentyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]phenol CAS Name: 5-methyl-2-[(6S)-6-pentyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]phenol IUPAC Name: 5-methyl-2-[(6S)-6-pentyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]phenol Traditional Name: 2-[(6S)-6-amyl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]-5-methyl-phenol Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC2=C(C1)C=CC(=[NH+]2)C3=C(C=C(C=C3)C)O

Isomeric SMILES

CCCCC[C@H]1CCC2=C(C1)C=CC(=[NH+]2)C3=C(C=C(C=C3)C)O

InChI

InChI=1S/C21H27NO/c1-3-4-5-6-16-8-11-19-17(14-16)9-12-20(22-19)18-10-7-15(2)13-21(18)23/h7,9-10,12-13,16,23H,3-6,8,11,14H2,1-2H3/p+1/t16-/m0/s1