[4-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H29N2O2S+ MolecularWeight: 421.57496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H28N2O2S/c28-25(27-13-3-4-14-27)19-7-9-21(10-8-19)29-22-11-15-26(16-12-22)18-23-17-20-5-1-2-6-24(20)30-23/h1-2,5-10,17,22H,3-4,11-16,18H2/p+1