[4-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[(4-amino-6-piperidino-s-triazin-2-yl)methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H26N7O2+ MolecularWeight: 372.44474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)N

InChI

InChI=1S/C18H25N7O2/c19-17-20-15(21-18(22-17)25-6-2-1-3-7-25)13-23-8-10-24(11-9-23)16(26)14-5-4-12-27-14/h4-5,12H,1-3,6-11,13H2,(H2,19,20,21,22)/p+1