[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(OC(=C2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(OC(=C2)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C17H27N3O2/c1-13-5-3-4-8-20(13)12-15-11-16(22-14(15)2)17(21)19-9-6-18-7-10-19/h11,13,18H,3-10,12H2,1-2H3/p+2/t13-/m0/s1