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

Systemtic Name: 2-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]pyridin-1-ium Openeye Name: 2-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]-1-piperidyl]pyridin-1-ium CAS Name: 2-[4-[[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]methyl]-1-piperidinyl]pyridin-1-ium IUPAC Name: 2-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyridin-1-ium Traditional Name: 2-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidino]pyridin-1-ium Formula: C18H28N6+2 MolecularWeight: 328.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CN(N=N2)CC3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC[NH+](C1)CC2=CN(N=N2)CC3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H26N6/c1-2-8-19-18(5-1)23-11-6-16(7-12-23)13-24-15-17(20-21-24)14-22-9-3-4-10-22/h1-2,5,8,15-16H,3-4,6-7,9-14H2/p+2