[(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(N=C2)N)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O/c22-21-23-11-15(12-24-21)13-25-10-4-7-17(14-25)20(26)19-9-3-6-16-5-1-2-8-18(16)19/h1-3,5-6,8-9,11-12,17H,4,7,10,13-14H2,(H2,22,23,24)/p+1/t17-/m0/s1