(4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]amino]methyl]pyrrolidin-2-one

Systemtic Name: (4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]amino]methyl]pyrrolidin-2-one Openeye Name: (4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]amino]methyl]pyrrolidin-2-one CAS Name: (4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methyl-2-pyrimidin-1-iumyl]amino]methyl]-2-pyrrolidinone IUPAC Name: (4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methylpyrimidin-1-ium-2-yl]amino]methyl]pyrrolidin-2-one Traditional Name: (4S)-1-tert-butyl-4-[[[4-(dimethylamino)-5-methyl-pyrimidin-1-ium-2-yl]amino]methyl]-2-pyrrolidone Formula: C16H28N5O+ MolecularWeight: 306.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N(C)C)NCC2CC(=O)N(C2)C(C)(C)C

Isomeric SMILES

CC1=C[NH+]=C(N=C1N(C)C)NC[C@@H]2CC(=O)N(C2)C(C)(C)C

InChI

InChI=1S/C16H27N5O/c1-11-8-17-15(19-14(11)20(5)6)18-9-12-7-13(22)21(10-12)16(2,3)4/h8,12H,7,9-10H2,1-6H3,(H,17,18,19)/p+1/t12-/m0/s1