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

Systemtic Name: [(2R)-3-(6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: [(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-1-indolyl)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-3-(6-bromo-3-ethoxycarbonyl-5-methoxy-2-methylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2R)-3-(6-bromo-3-carbethoxy-5-methoxy-2-methyl-indol-1-yl)-2-hydroxy-propyl]ammonium Formula: C23H28BrN2O4+ MolecularWeight: 476.38342

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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+]CC3=CC=CC=C3)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C[C@@H](C[NH2+]CC3=CC=CC=C3)O)C

InChI

InChI=1S/C23H27BrN2O4/c1-4-30-23(28)22-15(2)26(20-11-19(24)21(29-3)10-18(20)22)14-17(27)13-25-12-16-8-6-5-7-9-16/h5-11,17,25,27H,4,12-14H2,1-3H3/p+1/t17-/m1/s1