4-(3-ethynylphenyl)-1-hexyl-3,4-dimethyl-piperidine

Systemtic Name: 4-(3-ethynylphenyl)-1-hexyl-3,4-dimethyl-piperidine Openeye Name: 4-(3-ethynylphenyl)-1-hexyl-3,4-dimethyl-piperidine CAS Name: 4-(3-ethynylphenyl)-1-hexyl-3,4-dimethylpiperidine IUPAC Name: 4-(3-ethynylphenyl)-1-hexyl-3,4-dimethylpiperidine Traditional Name: 4-(3-ethynylphenyl)-1-hexyl-3,4-dimethyl-piperidine Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C#C

Isomeric SMILES

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C#C

InChI

InChI=1S/C21H31N/c1-5-7-8-9-14-22-15-13-21(4,18(3)17-22)20-12-10-11-19(6-2)16-20/h2,10-12,16,18H,5,7-9,13-15,17H2,1,3-4H3