2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)propanamide CAS Name: 2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)propionamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)C(C)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-18-16-24(32)28-25-22-10-6-7-11-23(22)31(30(18)25)19(2)26(33)27-21-12-14-29(15-13-21)17-20-8-4-3-5-9-20/h3-11,16,19,21H,12-15,17H2,1-2H3,(H,27,33)/p+1