N-methyl-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CN=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-25(17-19-9-5-11-23-16-19)21(27)15-20-22(28)24-12-14-26(20)13-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,16,20H,6,10,12-15,17H2,1H3,(H,24,28)/p+1/t20-/m1/s1