2-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C[N+]2=CC=C1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C2NC(=C[N+]2=CC=C1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N3O2S/c1-16-7-6-12-22-15-19(21-20(16)22)17-8-10-18(11-9-17)26(24,25)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3/p+1