N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-butoxy-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-butoxy-benzamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-butoxy-benzamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-butoxybenzamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-butoxybenzamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-butoxy-benzamide Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C23H32N2O2S/c1-2-3-16-27-21-12-7-6-11-19(21)23(26)24-18-20(22-13-10-17-28-22)25-14-8-4-5-9-15-25/h6-7,10-13,17,20H,2-5,8-9,14-16,18H2,1H3,(H,24,26)/p+1/t20-/m0/s1