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

Systemtic Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-3-4-18-5-6-20(21(15-18)27-2)28-17-22(26)25-13-11-24(12-14-25)16-19-7-9-23-10-8-19/h3-10,15H,11-14,16-17H2,1-2H3/p+1/b4-3+