N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylquinolin-1-ium-3-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylquinolin-1-ium-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylquinolin-1-ium-3-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,4-dimethyl-3-quinolin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylquinolin-1-ium-3-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylquinolin-1-ium-3-yl)acetamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=CC=CC=C12)C)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=[NH+]C2=CC=CC=C12)C)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3S/c1-18-22-9-5-6-10-24(22)26-19(2)23(18)17-25(29)27-20-11-13-21(14-12-20)32(30,31)28-15-7-3-4-8-16-28/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,27,29)/p+1