1-[4-(phenylmethyl)piperidin-1-yl]-3-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-3-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-3-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-(2-thenyl)piperidin-1-ium-4-yl]propan-1-one Formula: C25H35N2OS+ MolecularWeight: 411.6232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H34N2OS/c28-25(27-16-12-23(13-17-27)19-22-5-2-1-3-6-22)9-8-21-10-14-26(15-11-21)20-24-7-4-18-29-24/h1-7,18,21,23H,8-17,19-20H2/p+1