N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-2-imidazolyl)methyl]-N-methyl-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CN(C)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=CN=C1CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-3-25-13-10-22-19(25)16-24(2)20(27)15-18-21(28)23-11-14-26(18)12-9-17-7-5-4-6-8-17/h4-8,10,13,18H,3,9,11-12,14-16H2,1-2H3,(H,23,28)/p+1/t18-/m1/s1