2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-phenol Formula: C20H27ClN2O2S+2 MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl)CC=C

InChI

InChI=1S/C20H25ClN2O2S/c1-3-4-15-11-16(20(24)18(12-15)25-2)13-22-7-9-23(10-8-22)14-17-5-6-19(21)26-17/h3,5-6,11-12,24H,1,4,7-10,13-14H2,2H3/p+2