4-[[1-[(1-ethylpiperidin-1-ium-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[1-[(1-ethylpiperidin-1-ium-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[1-[(1-ethylpiperidin-1-ium-4-yl)methyl]triazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[1-[(1-ethyl-4-piperidin-1-iumyl)methyl]-4-triazolyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[1-[(1-ethylpiperidin-1-ium-4-yl)methyl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[1-[(1-ethylpiperidin-1-ium-4-yl)methyl]triazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C17H32N6O+2 MolecularWeight: 336.47558

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)CN2C=C(N=N2)C[NH+]3CCNC(=O)C3(C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)CN2C=C(N=N2)C[NH+]3CCNC(=O)C3(C)C

InChI

InChI=1S/C17H30N6O/c1-4-21-8-5-14(6-9-21)11-23-13-15(19-20-23)12-22-10-7-18-16(24)17(22,2)3/h13-14H,4-12H2,1-3H3,(H,18,24)/p+2