1-ethyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzotriazole-5-carboxamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4)N=N1

InChI

InChI=1S/C20H25N5O2/c1-2-25-17-9-8-15(13-16(17)22-23-25)20(26)21-14-18(19-7-6-12-27-19)24-10-4-3-5-11-24/h6-9,12-13,18H,2-5,10-11,14H2,1H3,(H,21,26)/p+1/t18-/m1/s1