4-(5-piperidin-1-ium-1-ylpentylsulfanyl)phenol perchlorate

Systemtic Name: 4-(5-piperidin-1-ium-1-ylpentylsulfanyl)phenol perchlorate Openeye Name: 4-(5-piperidin-1-ium-1-ylpentylsulfanyl)phenol perchlorate CAS Name: 4-[5-(1-piperidin-1-iumyl)pentylthio]phenol perchlorate IUPAC Name: 4-(5-piperidin-1-ium-1-ylpentylsulfanyl)phenol perchlorate Traditional Name: 4-(5-piperidin-1-ium-1-ylpentylthio)phenol perchlorate Formula: C16H26ClNO5S MolecularWeight: 379.89934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCCCSC2=CC=C(C=C2)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CC[NH+](CC1)CCCCCSC2=CC=C(C=C2)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H25NOS.ClHO4/c18-15-7-9-16(10-8-15)19-14-6-2-5-13-17-11-3-1-4-12-17;2-1(3,4)5/h7-10,18H,1-6,11-14H2;(H,2,3,4,5)