N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-butoxy-benzamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-butoxy-benzamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-4-butoxybenzamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-butoxybenzamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-butoxy-benzamide Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C23H32N2O2S/c1-2-3-16-27-20-12-10-19(11-13-20)23(26)24-18-21(22-9-8-17-28-22)25-14-6-4-5-7-15-25/h8-13,17,21H,2-7,14-16,18H2,1H3,(H,24,26)/p+1/t21-/m0/s1