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

Systemtic Name: 4-methoxy-2-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidine Openeye Name: 4-methoxy-2-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]-1-piperidyl]pyrimidine CAS Name: 4-methoxy-2-[4-[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]-1-piperidinyl]pyrimidine IUPAC Name: 4-methoxy-2-[4-[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine Traditional Name: 4-methoxy-2-[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/c1-25-16-4-7-18-17(19-16)23-10-5-15(6-11-23)24-13-14(20-21-24)12-22-8-2-3-9-22/h4,7,13,15H,2-3,5-6,8-12H2,1H3/p+1