[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H36N4O4S+2 MolecularWeight: 440.59994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH2+]CCC[NH+]2CCOCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH2+]CCC[NH+]2CCOCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H34N4O4S/c1-18-6-7-19(16-20(18)30(27,28)25-10-3-2-4-11-25)23-21(26)17-22-8-5-9-24-12-14-29-15-13-24/h6-7,16,22H,2-5,8-15,17H2,1H3,(H,23,26)/p+2