N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-tetralin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide IUPAC Name: N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-tetralin-1-yl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O2S/c25-20(22-18-8-3-6-16-5-1-2-7-17(16)18)15-23-10-12-24(13-11-23)21(26)19-9-4-14-27-19/h1-2,4-5,7,9,14,18H,3,6,8,10-13,15H2,(H,22,25)/p+1/t18-/m0/s1