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

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-3-18-8-10-19(11-9-18)17(2)23-22(27)16-24-12-14-25(15-13-24)20-6-4-5-7-21(20)26/h4-11,17,26H,3,12-16H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1