(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C23H25N2O2S+ MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C23H24N2O2S/c1-27-22-6-5-20-14-18(2-4-21(20)15-22)3-7-23(26)25-11-9-24(10-12-25)16-19-8-13-28-17-19/h2-8,13-15,17H,9-12,16H2,1H3/p+1/b7-3+