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

Systemtic Name: dimethyl-[(1R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-1-(2-thienyl)-2-[(1-tosylisonipecotoyl)amino]ethyl]ammonium Formula: C21H30N3O3S2+ MolecularWeight: 436.6112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)24-12-10-17(11-13-24)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,17,19H,10-13,15H2,1-3H3,(H,22,25)/p+1/t19-/m1/s1