[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H28ClN3O3S/c1-2-21-11-13-22(14-12-21)19(24)16-7-8-17(20)18(15-16)27(25,26)23-9-5-3-4-6-10-23/h7-8,15H,2-6,9-14H2,1H3/p+1