methanesulfonic acid; 2-phenethyl-1-piperidin-4-yl-3H-indazol-4-amine

Systemtic Name: methanesulfonic acid; 2-phenethyl-1-piperidin-4-yl-3H-indazol-4-amine Openeye Name: methanesulfonic acid; 2-phenethyl-1-(4-piperidyl)-3H-indazol-4-amine CAS Name: methanesulfonic acid; 2-phenethyl-1-(4-piperidinyl)-3H-indazol-4-amine IUPAC Name: methanesulfonic acid; 2-phenethyl-1-piperidin-4-yl-3H-indazol-4-amine Traditional Name: mesylic acid; [2-phenethyl-1-(4-piperidyl)indazolin-4-yl]amine Formula: C22H34N4O6S2 MolecularWeight: 514.65856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CNCCC1N2C3=C(CN2CCC4=CC=CC=C4)C(=CC=C3)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CNCCC1N2C3=C(CN2CCC4=CC=CC=C4)C(=CC=C3)N

InChI

InChI=1S/C20H26N4.2CH4O3S/c21-19-7-4-8-20-18(19)15-23(14-11-16-5-2-1-3-6-16)24(20)17-9-12-22-13-10-17;2*1-5(2,3)4/h1-8,17,22H,9-15,21H2;2*1H3,(H,2,3,4)