diethyl-[(2S)-3-(2-methyl-5-nitro-3-phenyl-indol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-(2-methyl-5-nitro-3-phenyl-indol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-(2-methyl-5-nitro-3-phenyl-indol-1-yl)propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-(2-methyl-5-nitro-3-phenyl-1-indolyl)propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-(2-methyl-5-nitro-3-phenyl-indol-1-yl)propyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CN1C(=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C)O

Isomeric SMILES

CC[NH+](CC)C[C@H](CN1C(=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C)O

InChI

InChI=1S/C22H27N3O3/c1-4-23(5-2)14-19(26)15-24-16(3)22(17-9-7-6-8-10-17)20-13-18(25(27)28)11-12-21(20)24/h6-13,19,26H,4-5,14-15H2,1-3H3/p+1/t19-/m1/s1