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

Systemtic Name: [(2S)-3-(2,3-dimethylindol-1-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2,3-dimethyl-1-indolyl)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]ammonium Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(C[NH2+]CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C[C@H](C[NH2+]CC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H24N2O/c1-15-16(2)22(20-11-7-6-10-19(15)20)14-18(23)13-21-12-17-8-4-3-5-9-17/h3-11,18,21,23H,12-14H2,1-2H3/p+1/t18-/m0/s1