[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C28H40N3O3S+ MolecularWeight: 498.7005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H39N3O3S/c1-22-7-5-6-8-24(22)21-29-17-19-30(20-18-29)27(32)23-13-15-31(16-14-23)35(33,34)26-11-9-25(10-12-26)28(2,3)4/h5-12,23H,13-21H2,1-4H3/p+1