[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-chloro-4-[(1-mesyl-4-piperidyl)oxy]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H31ClN3O4S+ MolecularWeight: 444.99584

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H30ClN3O4S/c1-3-8-22-11-13-23(14-12-22)20(25)16-4-5-19(18(21)15-16)28-17-6-9-24(10-7-17)29(2,26)27/h4-5,15,17H,3,6-14H2,1-2H3/p+1