3-(4-oxidanylidenecinnolin-1-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(4-oxidanylidenecinnolin-1-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-oxocinnolin-1-yl)propanamide CAS Name: 3-(4-oxo-1-cinnolinyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-21-14-23-26(20-9-5-4-8-19(20)21)13-11-22(28)24-18-10-12-25(16-18)15-17-6-2-1-3-7-17/h1-9,14,18H,10-13,15-16H2,(H,24,28)/p+1/t18-/m1/s1