N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-(2-thienyl)butyramide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H28N2OS/c24-21(8-4-6-20-7-5-15-25-20)22-16-18-9-11-19(12-10-18)17-23-13-2-1-3-14-23/h5,7,9-12,15H,1-4,6,8,13-14,16-17H2,(H,22,24)/p+1