N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-methyl-quinoline-8-sulfonamide Openeye Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-methyl-quinoline-8-sulfonamide CAS Name: N-[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-3-methyl-8-quinolinesulfonamide IUPAC Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-methylquinoline-8-sulfonamide Traditional Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3-methyl-quinoline-8-sulfonamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCNS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)C

InChI

InChI=1S/C20H29N3O2S/c1-15-11-18-6-4-7-19(20(18)21-12-15)26(24,25)22-8-5-9-23-13-16(2)10-17(3)14-23/h4,6-7,11-12,16-17,22H,5,8-10,13-14H2,1-3H3/p+1/t16-,17-/m0/s1