[4-[[3-(2-azaniumylethyl)-1H-indol-5-yl]oxycarbonyl]phenyl]azanium dichloride

Systemtic Name: [4-[[3-(2-azaniumylethyl)-1H-indol-5-yl]oxycarbonyl]phenyl]azanium dichloride Openeye Name: 2-[5-(4-azaniumylbenzoyl)oxy-1H-indol-3-yl]ethylammonium dichloride CAS Name: [4-[[3-(2-ammonioethyl)-1H-indol-5-yl]oxy-oxomethyl]phenyl]ammonium dichloride IUPAC Name: 2-[5-(4-azaniumylbenzoyl)oxy-1H-indol-3-yl]ethylazanium dichloride Traditional Name: 2-[5-(4-ammoniobenzoyl)oxy-1H-indol-3-yl]ethylammonium dichloride Formula: C17H19Cl2N3O2 MolecularWeight: 368.25766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)NC=C3CC[NH3+])[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)NC=C3CC[NH3+])[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C17H17N3O2.2ClH/c18-8-7-12-10-20-16-6-5-14(9-15(12)16)22-17(21)11-1-3-13(19)4-2-11;;/h1-6,9-10,20H,7-8,18-19H2;2*1H