N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-(1-piperidylsulfonyl)benzenesulfonamide CAS Name: N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-(1-piperidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(1S)-2-methyl-1-(3-methyl-1H-imidazol-3-ium-2-yl)propyl]-4-piperidinosulfonyl-benzenesulfonamide Formula: C19H29N4O4S2+ MolecularWeight: 441.58796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=[N+](C=CN1)C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)[C@@H](C1=[N+](C=CN1)C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H28N4O4S2/c1-15(2)18(19-20-11-14-22(19)3)21-28(24,25)16-7-9-17(10-8-16)29(26,27)23-12-5-4-6-13-23/h7-11,14-15,18,21H,4-6,12-13H2,1-3H3/p+1/t18-/m0/s1