methyl (2R)-1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolin-3-iumyl)methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(6-methyl-4-thiomorpholin-4-ylquinazolin-3-ium-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCCC[C@@H]4C(=O)OC

InChI

InChI=1S/C21H28N4O2S/c1-15-6-7-17-16(13-15)20(24-9-11-28-12-10-24)23-19(22-17)14-25-8-4-3-5-18(25)21(26)27-2/h6-7,13,18H,3-5,8-12,14H2,1-2H3/p+2/t18-/m1/s1