[6-[(4-aminophenyl)carbonyl-(1-phenylethyl)amino]-3-ethyl-hexan-3-yl]azanium bromide

Systemtic Name: [6-[(4-aminophenyl)carbonyl-(1-phenylethyl)amino]-3-ethyl-hexan-3-yl]azanium bromide Openeye Name: [4-[(4-aminobenzoyl)-(1-phenylethyl)amino]-1,1-diethyl-butyl]ammonium bromide CAS Name: [6-[[(4-aminophenyl)-oxomethyl]-(1-phenylethyl)amino]-3-ethylhexan-3-yl]ammonium bromide IUPAC Name: [6-[(4-aminobenzoyl)-(1-phenylethyl)amino]-3-ethylhexan-3-yl]azanium bromide Traditional Name: [4-[(4-aminobenzoyl)-(1-phenylethyl)amino]-1,1-diethyl-butyl]ammonium bromide Formula: C23H34BrN3O MolecularWeight: 448.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N)[NH3+].[Br-]

Isomeric SMILES

CCC(CC)(CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N)[NH3+].[Br-]

InChI

InChI=1S/C23H33N3O.BrH/c1-4-23(25,5-2)16-9-17-26(18(3)19-10-7-6-8-11-19)22(27)20-12-14-21(24)15-13-20;/h6-8,10-15,18H,4-5,9,16-17,24-25H2,1-3H3;1H