N-[1-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonylphenyl]pyrazol-4-yl]ethanamide

Systemtic Name: N-[1-[4-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonylphenyl]pyrazol-4-yl]ethanamide Openeye Name: N-[1-[4-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)phenyl]pyrazol-4-yl]acetamide CAS Name: N-[1-[4-[oxo-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methyl]phenyl]-4-pyrazolyl]acetamide IUPAC Name: N-[1-[4-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)phenyl]pyrazol-4-yl]acetamide Traditional Name: N-[1-[4-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)phenyl]pyrazol-4-yl]acetamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)[NH+]4CCSCC4

Isomeric SMILES

CC(=O)NC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)[NH+]4CCSCC4

InChI

InChI=1S/C21H27N5O2S/c1-16(27)23-18-14-22-26(15-18)20-4-2-17(3-5-20)21(28)25-8-6-19(7-9-25)24-10-12-29-13-11-24/h2-5,14-15,19H,6-13H2,1H3,(H,23,27)/p+1