(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(E)-3-(4-fluorophenyl)allyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(E)-3-(4-fluorophenyl)allyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C18H26FN2+ MolecularWeight: 289.410843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)C/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN2/c19-17-9-7-16(8-10-17)5-3-11-20-12-4-6-18(15-20)21-13-1-2-14-21/h3,5,7-10,18H,1-2,4,6,11-15H2/p+1/b5-3+/t18-/m0/s1