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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: [(3R)-1-methylsulfonyl-3-piperidyl]-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[(3R)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: [(3R)-1-mesyl-3-piperidyl]-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)[C@@H]3CCCN(C3)S(=O)(=O)C

InChI

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