1-ethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]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)NCC3=CC=C(C=C3)C[NH+]4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4)N=N1

InChI

InChI=1S/C21H25N5O/c1-2-26-20-10-9-18(13-19(20)23-24-26)21(27)22-14-16-5-7-17(8-6-16)15-25-11-3-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,22,27)/p+1