azanyl-azanylidene-[(5S)-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-oxidanylidene-6-piperidin-1-yl-hexyl]azanium

Systemtic Name: azanyl-azanylidene-[(5S)-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-oxidanylidene-6-piperidin-1-yl-hexyl]azanium Openeye Name: amino-imino-[(5S)-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-oxo-6-(1-piperidyl)hexyl]ammonium CAS Name: amino-imino-[(5S)-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-oxo-6-(1-piperidinyl)hexyl]ammonium IUPAC Name: amino-imino-[(5S)-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-oxo-6-piperidin-1-ylhexyl]azanium Traditional Name: amino-imino-[(5S)-6-keto-5-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-6-piperidino-hexyl]ammonium Formula: C21H35N6O3S+ MolecularWeight: 451.606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=CC=C2)S(=O)(=O)NC(CCCC[N+](=N)N)C(=O)N3CCCCC3)NC1

Isomeric SMILES

CC1CC2=C(C(=CC=C2)S(=O)(=O)N[C@@H](CCCC[N+](=N)N)C(=O)N3CCCCC3)NC1

InChI

InChI=1S/C21H35N6O3S/c1-16-14-17-8-7-10-19(20(17)24-15-16)31(29,30)25-18(9-3-6-13-27(22)23)21(28)26-11-4-2-5-12-26/h7-8,10,16,18,24-25H,2-6,9,11-15H2,1H3,(H3,22,23)/q+1/t16?,18-/m0/s1