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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)N3CCCCC3

InChI

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