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

Systemtic Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(1-imidazolyl)ethyl]-N-methyl-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-imidazol-1-ylethyl)-N-methyl-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-imidazol-1-ylethyl)-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CN(CCN1C=CN=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-23(13-14-24-11-8-21-16-24)19(26)15-18-20(27)22-9-12-25(18)10-7-17-5-3-2-4-6-17/h2-6,8,11,16,18H,7,9-10,12-15H2,1H3,(H,22,27)/p+1/t18-/m1/s1