2-methyl-5-[[(3S)-3-[(4-propyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2-methyl-5-[[(3S)-3-[(4-propyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-methyl-5-[[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-methyl-5-[[(3S)-3-[(4-propyl-1-triazolyl)methyl]-1-piperidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-methyl-5-[[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-methyl-5-[[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyrimidine Formula: C17H27N6+ MolecularWeight: 315.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(N=N1)CC2CCC[NH+](C2)CC3=CN=C(N=C3)C

Isomeric SMILES

CCCC1=CN(N=N1)C[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)C

InChI

InChI=1S/C17H26N6/c1-3-5-17-13-23(21-20-17)12-15-6-4-7-22(10-15)11-16-8-18-14(2)19-9-16/h8-9,13,15H,3-7,10-12H2,1-2H3/p+1/t15-/m0/s1