1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]-3-(2-thienyl)propan-1-one Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CCC3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C17H26N2OS/c20-17(8-7-16-6-4-12-21-16)19-11-3-5-15(14-19)13-18-9-1-2-10-18/h4,6,12,15H,1-3,5,7-11,13-14H2/p+1/t15-/m1/s1