[6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-azanium

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(1-piperidin-1-iumylmethyl)-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium Formula: C21H32BrN3O3+2 MolecularWeight: 454.40108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)C[NH+]3CCCCC3

InChI

InChI=1S/C21H30BrN3O3/c1-5-28-21(27)19-17(13-25-9-7-6-8-10-25)24(4)16-11-15(22)20(26)14(18(16)19)12-23(2)3/h11,26H,5-10,12-13H2,1-4H3/p+2