(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-20-8-5-9-21(13-12-20)18(23)16-14-15(6-7-17(16)19)26(24,25)22-10-3-2-4-11-22/h6-7,14H,2-5,8-13H2,1H3/p+1