N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-17-23-15-20(30-17)16-26-12-8-18(9-13-26)27-21(7-11-24-27)25-22(28)10-14-29-19-5-3-2-4-6-19/h2-7,11,15,18H,8-10,12-14,16H2,1H3,(H,25,28)/p+1