2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

InChI

InChI=1S/C21H25N3O3/c1-3-4-17-5-6-19(20(15-17)26-2)27-16-21(25)24-13-11-23(12-14-24)18-7-9-22-10-8-18/h3-10,15H,11-14,16H2,1-2H3/p+1/b4-3+