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

Systemtic Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3-thienyl)prop-2-en-1-one Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C=CC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)/C=C/C4=CSC=C4

InChI

InChI=1S/C22H22N2OS/c25-22(9-8-18-10-15-26-17-18)24-13-11-23(12-14-24)16-20-6-3-5-19-4-1-2-7-21(19)20/h1-10,15,17H,11-14,16H2/p+1/b9-8+