[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-chloro-4-[(1-mesyl-4-piperidyl)oxy]phenyl]-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C20H31ClN3O4S+ MolecularWeight: 444.99584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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