2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3)CC=C

InChI

InChI=1S/C23H27N3O2S/c1-3-6-17-13-18(23(27)20(14-17)28-2)15-25-9-11-26(12-10-25)16-22-24-19-7-4-5-8-21(19)29-22/h3-5,7-8,13-14,27H,1,6,9-12,15-16H2,2H3/p+1