[4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C22H33N2O2S2+ MolecularWeight: 421.63962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)C4CSCCSC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)C4CSCCSC4

InChI

InChI=1S/C22H32N2O2S2/c25-22(24-10-2-1-3-11-24)18-4-6-20(7-5-18)26-21-8-12-23(13-9-21)19-16-27-14-15-28-17-19/h4-7,19,21H,1-3,8-17H2/p+1