4-[2-(1,2-dimethylindol-1-ium-1-yl)ethyl]morpholine; methanesulfonic acid; hydrate

Systemtic Name: 4-[2-(1,2-dimethylindol-1-ium-1-yl)ethyl]morpholine; methanesulfonic acid; hydrate Openeye Name: 4-[2-(1,2-dimethylindol-1-ium-1-yl)ethyl]morpholine; methanesulfonic acid; hydrate CAS Name: 4-[2-(1,2-dimethyl-1-indol-1-iumyl)ethyl]morpholine; methanesulfonic acid; hydrate IUPAC Name: 4-[2-(1,2-dimethylindol-1-ium-1-yl)ethyl]morpholine; methanesulfonic acid; hydrate Traditional Name: 4-[2-(1,2-dimethylindol-1-ium-1-yl)ethyl]morpholine; mesylic acid; hydrate Formula: C17H29N2O5S+ MolecularWeight: 373.48756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[N+]1(C)CCN3CCOCC3.CS(=O)(=O)O.O

Isomeric SMILES

CC1=CC2=CC=CC=C2[N+]1(C)CCN3CCOCC3.CS(=O)(=O)O.O

InChI

InChI=1S/C16H23N2O.CH4O3S.H2O/c1-14-13-15-5-3-4-6-16(15)18(14,2)10-7-17-8-11-19-12-9-17;1-5(2,3)4;/h3-6,13H,7-12H2,1-2H3;1H3,(H,2,3,4);1H2/q+1;;