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

Systemtic Name: diethyl-[[5-nitro-3-phenyl-1-(phenylmethyl)indol-2-yl]methyl]azanium Openeye Name: (1-benzyl-5-nitro-3-phenyl-indol-2-yl)methyl-diethyl-ammonium CAS Name: diethyl-[[5-nitro-3-phenyl-1-(phenylmethyl)-2-indolyl]methyl]ammonium IUPAC Name: (1-benzyl-5-nitro-3-phenylindol-2-yl)methyl-diethylazanium Traditional Name: (1-benzyl-5-nitro-3-phenyl-indol-2-yl)methyl-diethyl-ammonium Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-3-27(4-2)19-25-26(21-13-9-6-10-14-21)23-17-22(29(30)31)15-16-24(23)28(25)18-20-11-7-5-8-12-20/h5-17H,3-4,18-19H2,1-2H3/p+1