N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C24H33N3O2/c1-4-19-9-11-20(12-10-19)24(18(2)3)25-23(29)17-26-13-15-27(16-14-26)21-7-5-6-8-22(21)28/h5-12,18,24,28H,4,13-17H2,1-3H3,(H,25,29)/p+1/t24-/m0/s1