(2S)-N,N-dimethyl-1-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N,N-dimethyl-1-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N,N-dimethyl-1-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N,N-dimethyl-1-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N,N-dimethyl-1-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[4-(4-keto-6-propyl-1H-pyrimidin-2-yl)benzyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC3C(=O)N(C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC[C@H]3C(=O)N(C)C

InChI

InChI=1S/C21H28N4O2/c1-4-6-17-13-19(26)23-20(22-17)16-10-8-15(9-11-16)14-25-12-5-7-18(25)21(27)24(2)3/h8-11,13,18H,4-7,12,14H2,1-3H3,(H,22,23,26)/p+1/t18-/m0/s1