[4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C19H29N3O4S/c23-16-15-20-11-13-21(14-12-20)19(24)17-5-7-18(8-6-17)27(25,26)22-9-3-1-2-4-10-22/h5-8,23H,1-4,9-16H2/p+1