[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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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=CS4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c1-18-5-2-3-6-20(18)17-23-12-14-24(15-13-23)22(26)19-8-10-25(11-9-19)30(27,28)21-7-4-16-29-21/h2-7,16,19H,8-15,17H2,1H3/p+1