4-methoxy-6-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 4-methoxy-6-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidine Openeye Name: 4-methoxy-6-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]-1-piperidyl]pyrimidine CAS Name: 4-methoxy-6-[4-[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]-1-piperidinyl]pyrimidine IUPAC Name: 4-methoxy-6-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine Traditional Name: 4-methoxy-6-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidino]pyrimidine Formula: C17H26N7O+ MolecularWeight: 344.43464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)N2CCC(CC2)N3C=C(N=N3)C[NH+]4CCCC4

Isomeric SMILES

COC1=NC=NC(=C1)N2CCC(CC2)N3C=C(N=N3)C[NH+]4CCCC4

InChI

InChI=1S/C17H25N7O/c1-25-17-10-16(18-13-19-17)23-8-4-15(5-9-23)24-12-14(20-21-24)11-22-6-2-3-7-22/h10,12-13,15H,2-9,11H2,1H3/p+1