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

Systemtic Name: [(2S)-3-(6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-1-indolyl)-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methylindol-1-yl)-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(6-bromo-3-carbethoxy-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium Formula: C19H28BrN2O4+ MolecularWeight: 428.34062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(C[NH2+]C(C)C)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C[C@H](C[NH2+]C(C)C)O)C

InChI

InChI=1S/C19H27BrN2O4/c1-6-26-19(24)18-12(4)22(10-13(23)9-21-11(2)3)16-8-15(20)17(25-5)7-14(16)18/h7-8,11,13,21,23H,6,9-10H2,1-5H3/p+1/t13-/m0/s1