[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C19H29N3O4S/c1-15-13-17(6-7-18(15)26-3)27(24,25)22-8-4-5-16(14-22)19(23)21-11-9-20(2)10-12-21/h6-7,13,16H,4-5,8-12,14H2,1-3H3/p+1/t16-/m0/s1