2-(acephenanthrylen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid

Systemtic Name: 2-(acephenanthrylen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid Openeye Name: 2-(acephenanthrylen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid CAS Name: 2-(6-acephenanthrylenylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid IUPAC Name: 2-(acephenanthrylen-6-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid Traditional Name: 2-(acephenanthrylen-6-ylmethylamino)-2-methyl-propane-1,3-diol; mesylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC3=CC=CC(=C32)C4=CC=CC=C41.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC3=CC=CC(=C32)C4=CC=CC=C41.CS(=O)(=O)O

InChI

InChI=1S/C21H21NO2.CH4O3S/c1-21(12-23,13-24)22-11-19-16-7-3-2-6-15(16)17-8-4-5-14-9-10-18(19)20(14)17;1-5(2,3)4/h2-10,22-24H,11-13H2,1H3;1H3,(H,2,3,4)