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

Systemtic Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-3-18(2)17-25-14-10-19(11-15-25)26-21(9-13-23-26)24-22(27)12-16-28-20-7-5-4-6-8-20/h3-9,13,19H,10-12,14-17H2,1-2H3,(H,24,27)/p+1/b18-3+