3-[1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-(4-dibenzothiophenylmethyl)-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-(dibenzothiophen-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C25H31N2OS+ MolecularWeight: 407.59144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3SC5=CC=CC=C45

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3SC5=CC=CC=C45

InChI

InChI=1S/C25H30N2OS/c28-24(27-14-3-4-15-27)11-10-19-12-16-26(17-13-19)18-20-6-5-8-22-21-7-1-2-9-23(21)29-25(20)22/h1-2,5-9,19H,3-4,10-18H2/p+1