diethyl-[2-[(2-oxidanylidene-2-phenylazanyl-ethyl)-(phenylmethyl)azaniumyl]ethyl]azanium dichloride

Systemtic Name: diethyl-[2-[(2-oxidanylidene-2-phenylazanyl-ethyl)-(phenylmethyl)azaniumyl]ethyl]azanium dichloride Openeye Name: (2-anilino-2-oxo-ethyl)-benzyl-[2-(diethylammonio)ethyl]ammonium dichloride CAS Name: (2-anilino-2-oxoethyl)-[2-(diethylammonio)ethyl]-(phenylmethyl)ammonium dichloride IUPAC Name: (2-anilino-2-oxoethyl)-benzyl-[2-(diethylazaniumyl)ethyl]azanium dichloride Traditional Name: (2-anilino-2-keto-ethyl)-benzyl-[2-(diethylammonio)ethyl]ammonium dichloride Formula: C21H31Cl2N3O MolecularWeight: 412.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C21H29N3O.2ClH/c1-3-23(4-2)15-16-24(17-19-11-7-5-8-12-19)18-21(25)22-20-13-9-6-10-14-20;;/h5-14H,3-4,15-18H2,1-2H3,(H,22,25);2*1H