3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrido[4,3-d]pyrimidin-4-one Openeye Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrido[4,3-d]pyrimidin-4-one CAS Name: 3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrido[4,3-d]pyrimidinone IUPAC Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrido[4,3-d]pyrimidin-4-one Traditional Name: 3-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrido[4,3-d]pyrimidin-4-one Formula: C18H19N4O+ MolecularWeight: 307.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N2C=NC3=C(C2=O)C=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1N2C=NC3=C(C2=O)C=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N4O/c23-18-16-10-19-8-6-17(16)20-13-22(18)15-7-9-21(12-15)11-14-4-2-1-3-5-14/h1-6,8,10,13,15H,7,9,11-12H2/p+1/t15-/m0/s1