[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-(2-thienyl)methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-(2-thienyl)methanone Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2CCCCN2C(=O)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H]2CCCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H28N2OS/c21-18(17-9-7-15-22-17)20-13-6-3-8-16(20)10-14-19-11-4-1-2-5-12-19/h7,9,15-16H,1-6,8,10-14H2/p+1/t16-/m0/s1