N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]nicotinamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H26N4OS/c1-3-22-9-11-23(12-10-22)18(17-7-5-13-25-17)15(2)21-19(24)16-6-4-8-20-14-16/h4-8,13-15,18H,3,9-12H2,1-2H3,(H,21,24)/p+1/t15-,18-/m0/s1