(3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[3-(3-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCC[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C20H24N2O2/c1-15-6-4-9-18(12-15)24-11-5-10-22-14-17-8-3-2-7-16(17)13-19(22)20(21)23/h2-4,6-9,12,19H,5,10-11,13-14H2,1H3,(H2,21,23)/p+1/t19-/m0/s1