pyrrolidin-1-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: pyrrolidin-1-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: pyrrolidin-1-yl-[1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: 1-pyrrolidinyl-[1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: pyrrolidin-1-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: pyrrolidino-[1-[1-(3-thenyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C20H33N3OS+2 MolecularWeight: 363.56052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H31N3OS/c24-20(23-8-1-2-9-23)18-3-12-22(13-4-18)19-5-10-21(11-6-19)15-17-7-14-25-16-17/h7,14,16,18-19H,1-6,8-13,15H2/p+2