[4-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CN=C(N=C4)N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CN=C(N=C4)N

InChI

InChI=1S/C22H29N5O2/c23-22-24-14-17(15-25-22)16-26-12-8-20(9-13-26)29-19-6-4-18(5-7-19)21(28)27-10-2-1-3-11-27/h4-7,14-15,20H,1-3,8-13,16H2,(H2,23,24,25)/p+1