4-[[5-nitro-3-phenyl-1-(phenylmethyl)indol-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-nitro-3-phenyl-1-(phenylmethyl)indol-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[(1-benzyl-5-nitro-3-phenyl-indol-2-yl)methyl]morpholin-4-ium CAS Name: 4-[[5-nitro-3-phenyl-1-(phenylmethyl)-2-indolyl]methyl]morpholin-4-ium IUPAC Name: 4-[(1-benzyl-5-nitro-3-phenylindol-2-yl)methyl]morpholin-4-ium Traditional Name: 4-[(1-benzyl-5-nitro-3-phenyl-indol-2-yl)methyl]morpholin-4-ium Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-29(31)22-11-12-24-23(17-22)26(21-9-5-2-6-10-21)25(19-27-13-15-32-16-14-27)28(24)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2/p+1