ethyl-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: ethyl-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: ethyl-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: ethyl-[[1-(4-piperidin-1-iumyl)-4-triazolyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: ethyl-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: ethyl-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C16H26N6+2 MolecularWeight: 302.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN=CC=C1)CC2=CN(N=N2)C3CC[NH2+]CC3

Isomeric SMILES

CC[NH+](CC1=CN=CC=C1)CC2=CN(N=N2)C3CC[NH2+]CC3

InChI

InChI=1S/C16H24N6/c1-2-21(11-14-4-3-7-18-10-14)12-15-13-22(20-19-15)16-5-8-17-9-6-16/h3-4,7,10,13,16-17H,2,5-6,8-9,11-12H2,1H3/p+2