[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-methylpiperidino)sulfonylphenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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