(1-methylimidazol-2-yl)methyl-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]-propan-2-yl-azanium

Systemtic Name: (1-methylimidazol-2-yl)methyl-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[(1-methylimidazol-2-yl)methyl]-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium CAS Name: (1-methyl-2-imidazolyl)methyl-[[1-(4-piperidin-1-iumyl)-4-triazolyl]methyl]-propan-2-ylammonium IUPAC Name: (1-methylimidazol-2-yl)methyl-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: isopropyl-[(1-methylimidazol-2-yl)methyl]-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium Formula: C16H29N7+2 MolecularWeight: 319.44836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=N1)C2CC[NH2+]CC2)CC3=NC=CN3C

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=N1)C2CC[NH2+]CC2)CC3=NC=CN3C

InChI

InChI=1S/C16H27N7/c1-13(2)22(12-16-18-8-9-21(16)3)10-14-11-23(20-19-14)15-4-6-17-7-5-15/h8-9,11,13,15,17H,4-7,10,12H2,1-3H3/p+2