methyl-[(2S)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-methyl-ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C[NH+]1CCC2=CC=CC=C2C1)O

Isomeric SMILES

C[NH2+]C[C@@H](C[NH+]1CCC2=CC=CC=C2C1)O

InChI

InChI=1S/C13H20N2O/c1-14-8-13(16)10-15-7-6-11-4-2-3-5-12(11)9-15/h2-5,13-14,16H,6-10H2,1H3/p+2/t13-/m0/s1