[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidin-1-yl-methanone Openeye Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-(1-piperidyl)methanone CAS Name: [2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-piperidin-1-ylmethanone Traditional Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidino-methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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