(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-methyl-3-(1-piperidylsulfonyl)phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-3-9-21-12-14-22(15-13-21)20(24)18-8-7-17(2)19(16-18)27(25,26)23-10-5-4-6-11-23/h7-8,16H,3-6,9-15H2,1-2H3/p+1