2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)CC2=CSC3=CC=CC=C32

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)CC2=CSC3=CC=CC=C32

InChI

InChI=1S/C20H29N3OS/c1-3-17(4-2)21-20(24)14-23-11-9-22(10-12-23)13-16-15-25-19-8-6-5-7-18(16)19/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,24)/p+1