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

Systemtic Name: [4-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]azanium Openeye Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]ammonium CAS Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-[[(3S)-1-methyl-3-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]azanium Traditional Name: [4-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]-ethyl-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]ammonium Formula: C24H36N4O+2 MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](C1)C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCCC4

Isomeric SMILES

CC[NH+](C[C@H]1CC[NH+](C1)C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCCC4

InChI

InChI=1S/C24H34N4O/c1-3-28(17-19-12-13-27(2)15-19)16-18-8-10-21(11-9-18)24-25-22(14-23(29)26-24)20-6-4-5-7-20/h8-11,14,19-20H,3-7,12-13,15-17H2,1-2H3,(H,25,26,29)/p+2/t19-/m0/s1