N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H29ClN4O3S+2 MolecularWeight: 416.96586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27ClN4O3S/c1-21-9-11-22(12-10-21)14-18(24)20-15-5-6-16(19)17(13-15)27(25,26)23-7-3-2-4-8-23/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,24)/p+2