(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-3-19-10-12-20(13-11-19)18(22)16-7-6-15(2)17(14-16)25(23,24)21-8-4-5-9-21/h6-7,14H,3-5,8-13H2,1-2H3/p+1