[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone CAS Name: [(3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c1-18-9-10-21(29-18)30(27,28)25-11-5-8-20(17-25)22(26)24-14-12-23(13-15-24)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3/p+1/t20-/m0/s1