4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-1-ethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-1-ethyl-piperidin-1-ium-4-carboxamide Openeye Name: 4-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-cyclopentyl-1-ethyl-piperidin-1-ium-4-carboxamide CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-1-ethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 4-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-1-ethylpiperidin-1-ium-4-carboxamide Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-cyclopentyl-1-ethyl-piperidin-1-ium-4-carboxamide Formula: C26H35N6O2S+ MolecularWeight: 495.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC[NH+]1CCC(CC1)(C(=O)NC2CCCC2)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H34N6O2S/c1-2-30-15-13-26(14-16-30,25(34)27-20-8-3-4-9-20)31(18-21-10-7-17-35-21)24(33)19-32-23-12-6-5-11-22(23)28-29-32/h5-7,10-12,17,20H,2-4,8-9,13-16,18-19H2,1H3,(H,27,34)/p+1