[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: [(3R)-1-methylsulfonyl-3-piperidyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[(3R)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: [(3R)-1-mesyl-3-piperidyl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O3S/c1-16-6-3-4-7-17(16)14-20-10-12-21(13-11-20)19(23)18-8-5-9-22(15-18)26(2,24)25/h3-4,6-7,18H,5,8-15H2,1-2H3/p+1/t18-/m1/s1