4-[(S)-(4-fluoranyl-3-methyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium

Systemtic Name: 4-[(S)-(4-fluoranyl-3-methyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Openeye Name: 4-[(S)-(4-fluoro-3-methyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium CAS Name: 4-[(S)-(4-fluoro-3-methylphenyl)-(1-pyrrolidin-1-iumyl)methyl]piperidin-1-ium IUPAC Name: 4-[(S)-(4-fluoro-3-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]piperidin-1-ium Traditional Name: 4-[(S)-(4-fluoro-3-methyl-phenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Formula: C17H27FN2+2 MolecularWeight: 278.408083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2CC[NH2+]CC2)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C2CC[NH2+]CC2)[NH+]3CCCC3)F

InChI

InChI=1S/C17H25FN2/c1-13-12-15(4-5-16(13)18)17(20-10-2-3-11-20)14-6-8-19-9-7-14/h4-5,12,14,17,19H,2-3,6-11H2,1H3/p+2/t17-/m0/s1