N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O2S/c1-16(2)25-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-26-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1