3-[(4-aminophenyl)carbonyl-(1-phenylethyl)amino]propyl-diethyl-methyl-azanium bromide

Systemtic Name: 3-[(4-aminophenyl)carbonyl-(1-phenylethyl)amino]propyl-diethyl-methyl-azanium bromide Openeye Name: 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethyl-methyl-ammonium bromide CAS Name: 3-[[(4-aminophenyl)-oxomethyl]-(1-phenylethyl)amino]propyl-diethyl-methylammonium bromide IUPAC Name: 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethyl-methylazanium bromide Traditional Name: 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethyl-methyl-ammonium bromide Formula: C23H34BrN3O MolecularWeight: 448.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N.[Br-]

InChI

InChI=1S/C23H33N3O.BrH/c1-5-26(4,6-2)18-10-17-25(19(3)20-11-8-7-9-12-20)23(27)21-13-15-22(24)16-14-21;/h7-9,11-16,19H,5-6,10,17-18H2,1-4H3,(H-,24,27);1H