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

Systemtic Name: N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5OS/c1-18-24-16-21(30-18)17-27-14-11-20(12-15-27)28-22(10-13-25-28)26-23(29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10,13,16,20H,5,8-9,11-12,14-15,17H2,1H3,(H,26,29)/p+1