1-[(3S)-4-methyl-1-phenyl-pent-1-yn-3-yl]pyrrolidin-1-ium

Systemtic Name: 1-[(3S)-4-methyl-1-phenyl-pent-1-yn-3-yl]pyrrolidin-1-ium Openeye Name: 1-[(1S)-1-isopropyl-3-phenyl-prop-2-ynyl]pyrrolidin-1-ium CAS Name: 1-[(3S)-4-methyl-1-phenylpent-1-yn-3-yl]pyrrolidin-1-ium IUPAC Name: 1-[(3S)-4-methyl-1-phenylpent-1-yn-3-yl]pyrrolidin-1-ium Traditional Name: 1-[(1S)-1-isopropyl-3-phenyl-prop-2-ynyl]pyrrolidin-1-ium Formula: C16H22N+ MolecularWeight: 228.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC1=CC=CC=C1)[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@@H](C#CC1=CC=CC=C1)[NH+]2CCCC2

InChI

InChI=1S/C16H21N/c1-14(2)16(17-12-6-7-13-17)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,12-13H2,1-2H3/p+1/t16-/m1/s1