2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-yl-hept-5-yn-3-ol

Systemtic Name: 2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-yl-hept-5-yn-3-ol Openeye Name: 2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-yl-hept-5-yn-3-ol CAS Name: 2-methyl-3-phenyl-7-(1-pyrrolidin-1-iumyl)-5-heptyn-3-ol IUPAC Name: 2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-ylhept-5-yn-3-ol Traditional Name: 2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-yl-hept-5-yn-3-ol Formula: C18H26NO+ MolecularWeight: 272.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CC[NH+]1CCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)C(CC#CC[NH+]1CCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C18H25NO/c1-16(2)18(20,17-10-4-3-5-11-17)12-6-7-13-19-14-8-9-15-19/h3-5,10-11,16,20H,8-9,12-15H2,1-2H3/p+1