3-(1-benzothiophen-4-yl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one

Systemtic Name: 3-(1-benzothiophen-4-yl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Openeye Name: 3-(benzothiophen-4-yl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one CAS Name: 3-(1-benzothiophen-4-yl)-1-phenyl-1-[2-(1-pyrrolidinyl)ethyl]-2-piperidin-1-iumone IUPAC Name: 3-(1-benzothiophen-4-yl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Traditional Name: 3-(benzothiophen-4-yl)-1-phenyl-1-(2-pyrrolidinoethyl)piperidin-1-ium-2-one Formula: C25H29N2OS+ MolecularWeight: 405.57556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC[N+]2(CCCC(C2=O)C3=C4C=CSC4=CC=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC[N+]2(CCCC(C2=O)C3=C4C=CSC4=CC=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H29N2OS/c28-25-23(21-10-6-12-24-22(21)13-19-29-24)11-7-17-27(25,20-8-2-1-3-9-20)18-16-26-14-4-5-15-26/h1-3,6,8-10,12-13,19,23H,4-5,7,11,14-18H2/q+1