[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]-methyl-ammonium CAS Name: [3-(4-bromo-3-methylanilino)-3-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-methylazanium Traditional Name: benzyl-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]-methyl-ammonium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+](C)CC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+](C)CC2=CC=CC=C2)Br

InChI

InChI=1S/C18H21BrN2O/c1-14-12-16(8-9-17(14)19)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)/p+1