7-methoxy-1-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 7-methoxy-1-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 7-methoxy-1-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 7-methoxy-1-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 7-methoxy-1-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 7-methoxy-1-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]-2-naphthol Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2CN3CC[NH+](CC3)CC4=CSC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2CN3CC[NH+](CC3)CC4=CSC=C4)O

InChI

InChI=1S/C21H24N2O2S/c1-25-18-4-2-17-3-5-21(24)20(19(17)12-18)14-23-9-7-22(8-10-23)13-16-6-11-26-15-16/h2-6,11-12,15,24H,7-10,13-14H2,1H3/p+1