N-(isoquinolin-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-acetamide CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]-N-(5-isoquinolylmethyl)-N-methyl-acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H26N4O2/c1-14(2)24-10-9-22-20(26)18(24)11-19(25)23(3)13-16-6-4-5-15-12-21-8-7-17(15)16/h4-8,12,14,18H,9-11,13H2,1-3H3,(H,22,26)/p+1/t18-/m1/s1