[(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=CS3)[NH+](C)C)C

InChI

InChI=1S/C22H31N3O3S2/c1-16-7-8-19(14-17(16)2)30(27,28)25-11-9-18(10-12-25)22(26)23-15-20(24(3)4)21-6-5-13-29-21/h5-8,13-14,18,20H,9-12,15H2,1-4H3,(H,23,26)/p+1/t20-/m1/s1