(4S)-2-pyridin-2-yl-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-pyridin-2-yl-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-pyridyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-pyridinyl)-4-[3-(1-pyrrolidin-1-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-pyridin-2-yl-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-pyridyl)-4-(3-pyrrolidin-1-ium-1-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CC[NH+](C1)CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2/c27-21-18-9-2-1-8-17(18)19(16-23-11-7-15-25-13-5-6-14-25)22(28)26(21)20-10-3-4-12-24-20/h1-4,8-10,12,16,19H,5-7,11,13-15H2/p+1/t19-/m1/s1