methanesulfonate; (3-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-4-yl]methanone; hydrate

Systemtic Name: methanesulfonate; (3-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-4-yl]methanone; hydrate Openeye Name: methanesulfonate; (3-methoxyphenyl)-[1-(2-morpholinoethyl)indol-4-yl]methanone; hydrate CAS Name: methanesulfonate; (3-methoxyphenyl)-[1-[2-(4-morpholinyl)ethyl]-4-indolyl]methanone; hydrate IUPAC Name: methanesulfonate; (3-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-4-yl]methanone; hydrate Traditional Name: (3-methoxyphenyl)-[1-(2-morpholinoethyl)indol-4-yl]methanone mesylate hydrate Formula: C23H29N2O7S- MolecularWeight: 477.55056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=C3C=CN(C3=CC=C2)CCN4CCOCC4.CS(=O)(=O)[O-].O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=C3C=CN(C3=CC=C2)CCN4CCOCC4.CS(=O)(=O)[O-].O

InChI

InChI=1S/C22H24N2O3.CH4O3S.H2O/c1-26-18-5-2-4-17(16-18)22(25)20-6-3-7-21-19(20)8-9-24(21)11-10-23-12-14-27-15-13-23;1-5(2,3)4;/h2-9,16H,10-15H2,1H3;1H3,(H,2,3,4);1H2/p-1