N-ethyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C20H33N5O2+2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CCN(CC[NH+]1CCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H31N5O2/c1-2-24(14-13-23-10-5-6-11-23)19(26)15-18-20(27)22-9-12-25(18)16-17-7-3-4-8-21-17/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,22,27)/p+2/t18-/m1/s1