2-(benzotriazol-1-yl)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

Isomeric SMILES

C/C(=N/NC(=O)CN1C2=CC=CC=C2N=N1)/C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N6O2/c1-16(17-9-10-21(30-2)18(13-17)14-27-11-5-6-12-27)23-25-22(29)15-28-20-8-4-3-7-19(20)24-26-28/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,25,29)/p+1/b23-16-