3-[[1-(4-cyano-5-methyl-4-phenyl-hexyl)piperidin-4-yl]amino]-N-[2-(4-fluoranylphenoxy)ethyl]propanenitrilium

Systemtic Name: 3-[[1-(4-cyano-5-methyl-4-phenyl-hexyl)piperidin-4-yl]amino]-N-[2-(4-fluoranylphenoxy)ethyl]propanenitrilium Openeye Name: 3-[[1-(4-cyano-5-methyl-4-phenyl-hexyl)-4-piperidyl]amino]-N-[2-(4-fluorophenoxy)ethyl]propanenitrilium CAS Name: 3-[[1-(4-cyano-5-methyl-4-phenylhexyl)-4-piperidinyl]amino]-N-[2-(4-fluorophenoxy)ethyl]propanenitrilium IUPAC Name: 3-[[1-(4-cyano-5-methyl-4-phenylhexyl)piperidin-4-yl]amino]-N-[2-(4-fluorophenoxy)ethyl]propanenitrilium Traditional Name: 3-[[1-(4-cyano-5-methyl-4-phenyl-hexyl)-4-piperidyl]amino]-N-[2-(4-fluorophenoxy)ethyl]propiononitrilium Formula: C30H40FN4O+ MolecularWeight: 491.663203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(CC1)NCCC#[N+]CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCC(CC1)NCCC#[N+]CCOC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C30H40FN4O/c1-25(2)30(24-32,26-8-4-3-5-9-26)16-6-20-35-21-14-28(15-22-35)34-18-7-17-33-19-23-36-29-12-10-27(31)11-13-29/h3-5,8-13,25,28,34H,6-7,14-16,18-23H2,1-2H3/q+1