1-[[1-(1-pyridin-1-ium-4-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[1-(1-pyridin-1-ium-4-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[1-(1-pyridin-1-ium-4-yl-4-piperidyl)triazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[1-[1-(4-pyridin-1-iumyl)-4-piperidinyl]-4-triazolyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[1-(1-pyridin-1-ium-4-ylpiperidin-4-yl)triazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[1-(1-pyridin-1-ium-4-yl-4-piperidyl)triazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C18H27N7O+2 MolecularWeight: 357.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C[NH+]3CCC(=O)NCC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C[NH+]3CCC(=O)NCC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C18H25N7O/c26-18-5-9-23(12-8-20-18)13-15-14-25(22-21-15)17-3-10-24(11-4-17)16-1-6-19-7-2-16/h1-2,6-7,14,17H,3-5,8-13H2,(H,20,26)/p+2