2-bromanyl-6-methoxy-4-[(E)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]phenol Openeye Name: 4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]-2-bromo-6-methoxy-phenol CAS Name: 2-bromo-6-methoxy-4-[(E)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]prop-1-enyl]phenol IUPAC Name: 4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]-2-bromo-6-methoxyphenol Traditional Name: 4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]-2-bromo-6-methoxy-phenol Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC[NH+]2CCN(CC2)CC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C[NH+]2CCN(CC2)CC3=CC=CC=C3)Br)O

InChI

InChI=1S/C21H25BrN2O2/c1-26-20-15-18(14-19(22)21(20)25)8-5-9-23-10-12-24(13-11-23)16-17-6-3-2-4-7-17/h2-8,14-15,25H,9-13,16H2,1H3/p+1/b8-5+