4-chloranyl-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol

Systemtic Name: 4-chloranyl-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Openeye Name: 4-chloro-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol CAS Name: 4-chloro-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol IUPAC Name: 4-chloro-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Traditional Name: 4-chloro-2-[(1R)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Formula: C18H21ClNO3+ MolecularWeight: 334.81724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=CC(=C3)Cl)O)OC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(C=CC(=C3)Cl)O)OC

InChI

InChI=1S/C18H20ClNO3/c1-3-23-17-8-11-6-7-20-18(13(11)10-16(17)22-2)14-9-12(19)4-5-15(14)21/h4-5,8-10,18,20-21H,3,6-7H2,1-2H3/p+1/t18-/m1/s1