4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide

Systemtic Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Openeye Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide CAS Name: 4-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide IUPAC Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Traditional Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Formula: C23H30IN3O MolecularWeight: 491.40827

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H30N3O.HI/c1-26(17-8-3-9-18-26)19-16-24-14-15-25(20-10-4-2-5-11-20)22-13-7-6-12-21(22)23(24)27;/h2,4-7,10-13H,3,8-9,14-19H2,1H3;1H/q+1;/p-1