dimethyl-[3-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonio]propyl]ammonium CAS Name: dimethyl-[3-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azaniumyl]propyl]azanium Traditional Name: 3-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C19H34N4O3S+2 MolecularWeight: 398.56326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C19H32N4O3S/c1-16-8-9-17(27(25,26)23-12-5-4-6-13-23)14-18(16)21-19(24)15-20-10-7-11-22(2)3/h8-9,14,20H,4-7,10-13,15H2,1-3H3,(H,21,24)/p+2