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

Systemtic Name: (4S)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(1-piperidin-1-iumyl)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C23H26N4O2/c28-22-19-10-3-2-9-18(19)20(23(29)27(22)21-11-4-5-13-25-21)17-24-12-8-16-26-14-6-1-7-15-26/h2-5,9-11,13,17,20H,1,6-8,12,14-16H2/p+1/t20-/m1/s1