[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-piperidin-1-ium-1-ylethyl)azanium

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-piperidin-1-ium-1-ylethyl)azanium Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-(2-piperidin-1-ium-1-ylethyl)ammonium CAS Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-(2-piperidin-1-ium-1-ylethyl)azanium Traditional Name: [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-(2-piperidin-1-ium-1-ylethyl)ammonium Formula: C16H26BrN3O+2 MolecularWeight: 356.30114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]CC[NH+]2CCCCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+]CC[NH+]2CCCCC2)Br

InChI

InChI=1S/C16H24BrN3O/c1-13-5-6-14(11-15(13)17)19-16(21)12-18-7-10-20-8-3-2-4-9-20/h5-6,11,18H,2-4,7-10,12H2,1H3,(H,19,21)/p+2