4-[1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]phenol

Systemtic Name: 4-[1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]phenol Openeye Name: 4-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]phenol CAS Name: 4-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]phenol IUPAC Name: 4-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]phenol Traditional Name: 4-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]phenol Formula: C19H21ClNO3+ MolecularWeight: 346.82794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H20ClNO3/c20-17-9-13(10-18-19(17)24-12-23-18)11-21-7-5-15(6-8-21)14-1-3-16(22)4-2-14/h1-4,9-10,15,22H,5-8,11-12H2/p+1