1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ium-1-ylmethyl)indol-6-ol

Systemtic Name: 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ium-1-ylmethyl)indol-6-ol Openeye Name: 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ium-1-ylmethyl)indol-6-ol CAS Name: 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidin-1-iumylmethyl)-6-indolol IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ium-1-ylmethyl)indol-6-ol Traditional Name: 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ium-1-ylmethyl)indol-6-ol Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)C[NH+]4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)C[NH+]4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-15-21(25(27)28)18-10-11-20(26)19(14-23-12-4-3-5-13-23)22(18)24(15)16-6-8-17(29-2)9-7-16/h6-11,26H,3-5,12-14H2,1-2H3/p+1