benzenesulfonate; 1-methyl-1-[4-[4-[4-(1-methylpyrrolidin-1-ium-1-yl)phenyl]hexan-3-yl]phenyl]pyrrolidin-1-ium

Systemtic Name: benzenesulfonate; 1-methyl-1-[4-[4-[4-(1-methylpyrrolidin-1-ium-1-yl)phenyl]hexan-3-yl]phenyl]pyrrolidin-1-ium Openeye Name: benzenesulfonate; 1-[4-[1-ethyl-2-[4-(1-methylpyrrolidin-1-ium-1-yl)phenyl]butyl]phenyl]-1-methyl-pyrrolidin-1-ium CAS Name: benzenesulfonate; 1-methyl-1-[4-[4-[4-(1-methyl-1-pyrrolidin-1-iumyl)phenyl]hexan-3-yl]phenyl]pyrrolidin-1-ium IUPAC Name: benzenesulfonate; 1-methyl-1-[4-[4-[4-(1-methylpyrrolidin-1-ium-1-yl)phenyl]hexan-3-yl]phenyl]pyrrolidin-1-ium Traditional Name: 1-[4-[1-ethyl-2-[4-(1-methylpyrrolidin-1-ium-1-yl)phenyl]butyl]phenyl]-1-methyl-pyrrolidin-1-ium dibesylate Formula: C40H52N2O6S2 MolecularWeight: 720.98068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)[N+]2(CCCC2)C)C(CC)C3=CC=C(C=C3)[N+]4(CCCC4)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)[N+]2(CCCC2)C)C(CC)C3=CC=C(C=C3)[N+]4(CCCC4)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H42N2.2C6H6O3S/c1-5-27(23-11-15-25(16-12-23)29(3)19-7-8-20-29)28(6-2)24-13-17-26(18-14-24)30(4)21-9-10-22-30;2*7-10(8,9)6-4-2-1-3-5-6/h11-18,27-28H,5-10,19-22H2,1-4H3;2*1-5H,(H,7,8,9)/q+2;;/p-2