N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(1-naphthyl)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(1-naphthyl)acetamide Formula: C24H29N2OS+ MolecularWeight: 393.56486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)CC2=CC=CC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)CC2=CC=CC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H28N2OS/c27-24(17-20-11-7-10-19-9-3-4-12-21(19)20)25-18-22(23-13-8-16-28-23)26-14-5-1-2-6-15-26/h3-4,7-13,16,22H,1-2,5-6,14-15,17-18H2,(H,25,27)/p+1/t22-/m0/s1