5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol

Systemtic Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol Openeye Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol CAS Name: 5-(1-azepan-1-iumyl)-1-phenyl-1-(4-phenylphenyl)-3-pentyn-1-ol IUPAC Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol Traditional Name: 5-(azepan-1-ium-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol Formula: C29H32NO+ MolecularWeight: 410.57048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC#CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H31NO/c31-29(27-15-7-4-8-16-27,21-9-12-24-30-22-10-1-2-11-23-30)28-19-17-26(18-20-28)25-13-5-3-6-14-25/h3-8,13-20,31H,1-2,10-11,21-24H2/p+1