methyl-[(3S)-1-methylpyrrolidin-3-yl]-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: methyl-[(3S)-1-methylpyrrolidin-3-yl]-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: methyl-[(3S)-1-methylpyrrolidin-3-yl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: methyl-[(3S)-1-methyl-3-pyrrolidinyl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: methyl-[(3S)-1-methylpyrrolidin-3-yl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [4-(4-keto-6-propyl-1H-pyrimidin-2-yl)benzyl]-methyl-[(3S)-1-methylpyrrolidin-3-yl]ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)C3CCN(C3)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)[C@H]3CCN(C3)C

InChI

InChI=1S/C20H28N4O/c1-4-5-17-12-19(25)22-20(21-17)16-8-6-15(7-9-16)13-24(3)18-10-11-23(2)14-18/h6-9,12,18H,4-5,10-11,13-14H2,1-3H3,(H,21,22,25)/p+1/t18-/m0/s1