(2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline

Systemtic Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline Openeye Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline CAS Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline IUPAC Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline Traditional Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-3,4-dihydro-2H-quinoline Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1S(=O)(=O)N3CCC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1S(=O)(=O)N3CCC[NH2+]CC3

InChI

InChI=1S/C15H23N3O2S/c1-13-7-8-14-5-2-3-6-15(14)18(13)21(19,20)17-11-4-9-16-10-12-17/h2-3,5-6,13,16H,4,7-12H2,1H3/p+1/t13-/m0/s1