4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O2/c1-4-16(2)15-24-13-10-18(11-14-24)25-20(9-12-22-25)23-21(26)17-5-7-19(27-3)8-6-17/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,26)/p+1/b16-4+