(E)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]-3-(2-thienyl)acrylamide Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OCCCNC(=O)C=CC3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OCCCNC(=O)/C=C/C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H30N4O2S/c31-26(12-11-24-5-3-20-33-24)28-14-4-19-32-23-9-7-22(8-10-23)21-29-15-17-30(18-16-29)25-6-1-2-13-27-25/h1-3,5-13,20H,4,14-19,21H2,(H,28,31)/p+1/b12-11+