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

Systemtic Name: [6-[(4-aminophenyl)carbonyl-[(4-methoxyphenyl)methyl]amino]-3-ethyl-hexan-3-yl]azanium bromide Openeye Name: [4-[(4-aminobenzoyl)-[(4-methoxyphenyl)methyl]amino]-1,1-diethyl-butyl]ammonium bromide CAS Name: [6-[[(4-aminophenyl)-oxomethyl]-[(4-methoxyphenyl)methyl]amino]-3-ethylhexan-3-yl]ammonium bromide IUPAC Name: [6-[(4-aminobenzoyl)-[(4-methoxyphenyl)methyl]amino]-3-ethylhexan-3-yl]azanium bromide Traditional Name: [4-[(4-aminobenzoyl)-p-anisyl-amino]-1,1-diethyl-butyl]ammonium bromide Formula: C23H34BrN3O2 MolecularWeight: 464.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N)[NH3+].[Br-]

Isomeric SMILES

CCC(CC)(CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N)[NH3+].[Br-]

InChI

InChI=1S/C23H33N3O2.BrH/c1-4-23(25,5-2)15-6-16-26(17-18-7-13-21(28-3)14-8-18)22(27)19-9-11-20(24)12-10-19;/h7-14H,4-6,15-17,24-25H2,1-3H3;1H