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

Systemtic Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol Openeye Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol CAS Name: (1S)-4-(1-azepan-1-iumyl)-1-cyclopentyl-1-phenyl-2-butyn-1-ol IUPAC Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol Traditional Name: (1S)-4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenyl-but-2-yn-1-ol Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2CCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC#C[C@](C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H29NO/c23-21(20-13-6-7-14-20,19-11-4-3-5-12-19)15-10-18-22-16-8-1-2-9-17-22/h3-5,11-12,20,23H,1-2,6-9,13-14,16-18H2/p+1/t21-/m1/s1