1-methyl-3-[4-(phenylmethyl)piperazin-1-yl]-1-propyl-2H-imidazol-1-ium-4-sulfonamide

Systemtic Name: 1-methyl-3-[4-(phenylmethyl)piperazin-1-yl]-1-propyl-2H-imidazol-1-ium-4-sulfonamide Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-methyl-1-propyl-2H-imidazol-1-ium-4-sulfonamide CAS Name: 1-methyl-3-[4-(phenylmethyl)-1-piperazinyl]-1-propyl-2H-imidazol-1-ium-4-sulfonamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-methyl-1-propyl-2H-imidazol-1-ium-4-sulfonamide Traditional Name: 3-(4-benzylpiperazino)-1-methyl-1-propyl-4-imidazolin-1-ium-4-sulfonamide Formula: C18H30N5O2S+ MolecularWeight: 380.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CN(C(=C1)S(=O)(=O)N)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC[N+]1(CN(C(=C1)S(=O)(=O)N)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H30N5O2S/c1-3-13-23(2)15-18(26(19,24)25)22(16-23)21-11-9-20(10-12-21)14-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3,(H2,19,24,25)/q+1