N-[[(2S)-butan-2-yl]carbamoyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H19N3O2/c1-3-12(2)17-16(21)18-15(20)11-19-9-8-13-6-4-5-7-14(13)10-19/h4-10,12H,3,11H2,1-2H3,(H-,17,18,20,21)/p+1/t12-/m0/s1