4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C24H28N4O2/c1-18-9-5-7-15-27(18)16-8-13-25-17-21-19-10-2-3-11-20(19)23(29)28(24(21)30)22-12-4-6-14-26-22/h2-4,6,10-12,14,17-18,21H,5,7-9,13,15-16H2,1H3/p+1/t18-,21?/m0/s1