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

Systemtic Name: [5-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[(1S)-1-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-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)C(C)C2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C2=CC=C(O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H27N3O2/c1-13-4-3-9-20(12-13)14(2)15-5-6-16(22-15)17(21)19-10-7-18-8-11-19/h5-6,13-14,18H,3-4,7-12H2,1-2H3/p+2/t13-,14-/m0/s1