4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)pyrrolidin-1-yl]aniline; methanesulfonate

Systemtic Name: 4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)pyrrolidin-1-yl]aniline; methanesulfonate Openeye Name: 4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)pyrrolidin-1-yl]aniline; methanesulfonate CAS Name: 4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-pyrrolidinyl]aniline; methanesulfonate IUPAC Name: 4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)pyrrolidin-1-yl]aniline; methanesulfonate Traditional Name: [4-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)pyrrolidino]phenyl]amine mesylate Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CN(CC1[N+]23CCN(CC2)CC3)C4=CC=C(C=C4)N

Isomeric SMILES

CS(=O)(=O)[O-].C1CN(CC1[N+]23CCN(CC2)CC3)C4=CC=C(C=C4)N

InChI

InChI=1S/C16H25N4.CH4O3S/c17-14-1-3-15(4-2-14)19-6-5-16(13-19)20-10-7-18(8-11-20)9-12-20;1-5(2,3)4/h1-4,16H,5-13,17H2;1H3,(H,2,3,4)/q+1;/p-1