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

Systemtic Name: N-[2-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H25ClN4OS/c1-13(2)11-18(24)21-17-5-8-20-23(17)14-6-9-22(10-7-14)12-15-3-4-16(19)25-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,21,24)/p+1