(2,3-dimethyl-1H-indol-5-yl)methyl-[(2S)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]azanium

Systemtic Name: (2,3-dimethyl-1H-indol-5-yl)methyl-[(2S)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]azanium Openeye Name: (2,3-dimethyl-1H-indol-5-yl)methyl-[(1S)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]ammonium CAS Name: (2,3-dimethyl-1H-indol-5-yl)methyl-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]ammonium IUPAC Name: (2,3-dimethyl-1H-indol-5-yl)methyl-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]azanium Traditional Name: (2,3-dimethyl-1H-indol-5-yl)methyl-[(1S)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C[NH2+]C(C)CC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C[NH2+][C@@H](C)CC3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C21H26N2O2/c1-13(9-16-6-8-20(24)21(11-16)25-4)22-12-17-5-7-19-18(10-17)14(2)15(3)23-19/h5-8,10-11,13,22-24H,9,12H2,1-4H3/p+1/t13-/m0/s1