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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H29ClN3O4S+ MolecularWeight: 430.96926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O4S/c20-17-6-5-16(19(25)22-11-9-21(10-12-22)13-14-24)15-18(17)28(26,27)23-7-3-1-2-4-8-23/h5-6,15,24H,1-4,7-14H2/p+1