[(2S)-3-(2,3-dimethylindol-1-yl)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(2S)-3-(2,3-dimethylindol-1-yl)-2-oxidanyl-propyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(2S)-3-(2,3-dimethyl-1-indolyl)-2-hydroxypropyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]-[(1R)-1-phenylethyl]ammonium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(C[NH2+]C(C)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C[C@H](C[NH2+][C@H](C)C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H26N2O/c1-15-17(3)23(21-12-8-7-11-20(15)21)14-19(24)13-22-16(2)18-9-5-4-6-10-18/h4-12,16,19,22,24H,13-14H2,1-3H3/p+1/t16-,19+/m1/s1