methanesulfonate; (6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl-propan-2-yl-azanium

Systemtic Name: methanesulfonate; (6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl-propan-2-yl-azanium Openeye Name: isopropyl-[(6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]ammonium; methanesulfonate CAS Name: methanesulfonate; (6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl-propan-2-ylammonium IUPAC Name: methanesulfonate; (6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl-propan-2-ylazanium Traditional Name: isopropyl-[(6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]ammonium mesylate Formula: C15H25N3O5S MolecularWeight: 359.4411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCC(N2)C[NH2+]C(C)C)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)CCC(N2)C[NH2+]C(C)C)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C14H21N3O2.CH4O3S/c1-9(2)15-8-12-5-4-11-6-10(3)14(17(18)19)7-13(11)16-12;1-5(2,3)4/h6-7,9,12,15-16H,4-5,8H2,1-3H3;1H3,(H,2,3,4)