N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-[(1-methyl-2-imidazolyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-28-14-12-26-23(28)18-29(2)24(31)16-22-25(32)27-13-15-30(22)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-12,14,22H,13,15-18H2,1-2H3,(H,27,32)/p+1/t22-/m1/s1