2-[4-[(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(E)-3-(4-isopropoxy-3-methoxy-phenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H33N3O4/c1-20(2)33-23-11-9-21(17-24(23)32-3)10-12-26(31)29-15-13-28(14-16-29)19-25(30)27-18-22-7-5-4-6-8-22/h4-12,17,20H,13-16,18-19H2,1-3H3,(H,27,30)/p+1/b12-10+