2-[6-[(phenylmethyl)-propan-2-yl-amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(phenylmethyl)-propan-2-yl-amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[6-[benzyl(isopropyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid CAS Name: 2-[6-[(phenylmethyl)-propan-2-ylamino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid IUPAC Name: 2-[6-[benzyl(propan-2-yl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Traditional Name: 2-[6-[benzyl(isopropyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Formula: C19H22N3O2+ MolecularWeight: 324.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)O

InChI

InChI=1S/C19H21N3O2/c1-14(2)22(11-15-6-4-3-5-7-15)17-8-9-18-20-16(10-19(23)24)12-21(18)13-17/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)/p+1