[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-p-anisylpiperazin-4-ium-1-yl)-(1-tosyl-4-piperidyl)methanone Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H33N3O4S/c1-20-3-9-24(10-4-20)33(30,31)28-13-11-22(12-14-28)25(29)27-17-15-26(16-18-27)19-21-5-7-23(32-2)8-6-21/h3-10,22H,11-19H2,1-2H3/p+1