N-[4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(5-acetamido-1-pyrazolyl)-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(5-acetamidopyrazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C

InChI

InChI=1S/C19H25N5O2/c1-14(25)21-17-5-3-16(4-6-17)13-23-11-8-18(9-12-23)24-19(7-10-20-24)22-15(2)26/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,25)(H,22,26)/p+1