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

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O/c1-3-19-7-9-20(10-8-19)18(2)24-22(27)17-26-14-12-25(13-15-26)16-21-6-4-5-11-23-21/h4-11,18H,3,12-17H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1