piperidin-1-yl-[2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-[1-(3-thenyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C22H28N2O2S/c25-22(24-11-4-1-5-12-24)20-6-2-3-7-21(20)26-19-8-13-23(14-9-19)16-18-10-15-27-17-18/h2-3,6-7,10,15,17,19H,1,4-5,8-9,11-14,16H2/p+1