carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-yl-phenyl)carbonyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-yl-phenyl)carbonyl-azanium; 4-methylbenzenesulfonate Openeye Name: carbamimidoyl-[3-methylsulfonyl-4-(1-piperidyl)benzoyl]ammonium; 4-methylbenzenesulfonate CAS Name: carbamimidoyl-[[3-methylsulfonyl-4-(1-piperidinyl)phenyl]-oxomethyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-ylbenzoyl)azanium; 4-methylbenzenesulfonate Traditional Name: amidino-(3-mesyl-4-piperidino-benzoyl)ammonium tosylate Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CS(=O)(=O)C1=C(C=CC(=C1)C(=O)[NH2+]C(=N)N)N2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CS(=O)(=O)C1=C(C=CC(=C1)C(=O)[NH2+]C(=N)N)N2CCCCC2

InChI

InChI=1S/C14H20N4O3S.C7H8O3S/c1-22(20,21)12-9-10(13(19)17-14(15)16)5-6-11(12)18-7-3-2-4-8-18;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17,19);2-5H,1H3,(H,8,9,10)