[5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-methyl-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-methyl-4-[[(3S)-3-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:

CC1CCC[NH+](C1)CC2=C(OC(=C2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(OC(=C2)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C17H27N3O2/c1-13-4-3-7-19(11-13)12-15-10-16(22-14(15)2)17(21)20-8-5-18-6-9-20/h10,13,18H,3-9,11-12H2,1-2H3/p+2/t13-/m0/s1