(1S)-4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol

Systemtic Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol Openeye Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol CAS Name: (1S)-4-(1-azepan-1-iumyl)-1-cyclopropyl-1-phenyl-2-butyn-1-ol IUPAC Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenylbut-2-yn-1-ol Traditional Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopropyl-1-phenyl-but-2-yn-1-ol Formula: C19H26NO+ MolecularWeight: 284.41584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2CC2)(C3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC#C[C@](C2CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H25NO/c21-19(18-11-12-18,17-9-4-3-5-10-17)13-8-16-20-14-6-1-2-7-15-20/h3-5,9-10,18,21H,1-2,6-7,11-12,14-16H2/p+1/t19-/m1/s1