N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methyl-piperidin-1-ium-4-amine CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-methylpiperidin-1-ium-4-amine Traditional Name: [(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(1-methylpiperidin-1-ium-4-yl)amine Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

C[NH+]1CCC(CC1)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C16H27N3O/c1-18-10-6-14(7-11-18)17-13-15(16-5-4-12-20-16)19-8-2-3-9-19/h4-5,12,14-15,17H,2-3,6-11,13H2,1H3/p+2/t15-/m0/s1