2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C18H20ClN2O3+ MolecularWeight: 347.816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4O

InChI

InChI=1S/C18H19ClN2O3/c19-14-9-13(10-17-18(14)24-12-23-17)11-20-5-7-21(8-6-20)15-3-1-2-4-16(15)22/h1-4,9-10,22H,5-8,11-12H2/p+1