1-ethyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzotriazole-5-carboxamide Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCC(CC4)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCC(CC4)C)N=N1

InChI

InChI=1S/C21H27N5OS/c1-3-26-18-7-6-16(13-17(18)23-24-26)21(27)22-14-19(20-5-4-12-28-20)25-10-8-15(2)9-11-25/h4-7,12-13,15,19H,3,8-11,14H2,1-2H3,(H,22,27)/p+1/t19-/m0/s1