N-[benzotriazol-1-yl(pyrrolidin-1-ium-1-ylidene)methyl]benzamide

Systemtic Name: N-[benzotriazol-1-yl(pyrrolidin-1-ium-1-ylidene)methyl]benzamide Openeye Name: N-[benzotriazol-1-yl(pyrrolidin-1-ium-1-ylidene)methyl]benzamide CAS Name: N-[1-benzotriazolyl(1-pyrrolidin-1-iumylidene)methyl]benzamide IUPAC Name: N-[benzotriazol-1-yl(pyrrolidin-1-ium-1-ylidene)methyl]benzamide Traditional Name: N-[benzotriazol-1-yl(pyrrolidin-1-ium-1-ylidene)methyl]benzamide Formula: C18H18N5O+ MolecularWeight: 320.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(NC(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C1

Isomeric SMILES

C1CC[N+](=C(NC(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C1

InChI

InChI=1S/C18H17N5O/c24-17(14-8-2-1-3-9-14)19-18(22-12-6-7-13-22)23-16-11-5-4-10-15(16)20-21-23/h1-5,8-11H,6-7,12-13H2/p+1