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

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

CC1CCCC[NH+]1C(C)C2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-13-5-3-4-10-20(13)14(2)15-6-7-16(22-15)17(21)19-11-8-18-9-12-19/h6-7,13-14,18H,3-5,8-12H2,1-2H3/p+2/t13-,14-/m0/s1