1-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzotriazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-ethyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-benzotriazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-ethyl-benzotriazole-5-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H25N5O/c1-2-26-20-9-8-17(14-19(20)23-24-26)21(27)22-18-10-12-25(13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18H,2,10-13,15H2,1H3,(H,22,27)/p+1