N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H30N4OS/c1-19-11-13-27(14-12-19)22(23-8-5-15-30-23)17-25-24(29)10-9-20-16-26-28(18-20)21-6-3-2-4-7-21/h2-8,15-16,18-19,22H,9-14,17H2,1H3,(H,25,29)/p+1/t22-/m1/s1