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

Systemtic Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(2-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=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H24N2O2S/c1-27-21-8-7-19-15-18(4-6-20(19)16-21)5-9-23(26)25-12-10-24(11-13-25)17-22-3-2-14-28-22/h2-9,14-16H,10-13,17H2,1H3/p+1/b9-5+