1-(phenylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-17(2)26-12-10-19(11-13-26)24-23(28)20-16-27(15-18-7-4-3-5-8-18)25-22(20)21-9-6-14-29-21/h3-9,14,16-17,19H,10-13,15H2,1-2H3,(H,24,28)/p+1