[(2R)-3-(6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2R)-3-(6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-1-indolyl)-2-hydroxypropyl]-dimethylammonium IUPAC Name: [(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methylindol-1-yl)-2-hydroxypropyl]-dimethylazanium Traditional Name: [(2R)-3-(6-bromo-3-carbethoxy-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]-dimethyl-ammonium Formula: C18H26BrN2O4+ MolecularWeight: 414.31404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(C[NH+](C)C)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C[C@H](C[NH+](C)C)O)C

InChI

InChI=1S/C18H25BrN2O4/c1-6-25-18(23)17-11(2)21(10-12(22)9-20(3)4)15-8-14(19)16(24-5)7-13(15)17/h7-8,12,22H,6,9-10H2,1-5H3/p+1/t12-/m0/s1