[4-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-allyl-2-hydroxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC=C

InChI

InChI=1S/C20H24N2O3S/c1-3-5-15-12-16(19(23)17(13-15)25-2)14-21-7-9-22(10-8-21)20(24)18-6-4-11-26-18/h3-4,6,11-13,23H,1,5,7-10,14H2,2H3/p+1