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

Systemtic Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one Openeye Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one CAS Name: 4-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one IUPAC Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one Traditional Name: 4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N3O/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/q+1