4-bromanyl-2-[(4-cycloheptylpiperazin-4-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-cycloheptylpiperazin-4-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-cycloheptylpiperazin-4-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-cycloheptyl-1-piperazin-4-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-cycloheptylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-cycloheptylpiperazin-4-ium-1-yl)methyl]phenol Formula: C18H28BrN2O+ MolecularWeight: 368.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN(CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H27BrN2O/c19-16-7-8-18(22)15(13-16)14-20-9-11-21(12-10-20)17-5-3-1-2-4-6-17/h7-8,13,17,22H,1-6,9-12,14H2/p+1