(3S,4S)-1-hexyl-3,4-diphenyl-pyrrolidin-1-ium

Systemtic Name: (3S,4S)-1-hexyl-3,4-diphenyl-pyrrolidin-1-ium Openeye Name: (3S,4S)-1-hexyl-3,4-diphenyl-pyrrolidin-1-ium CAS Name: (3S,4S)-1-hexyl-3,4-diphenylpyrrolidin-1-ium IUPAC Name: (3S,4S)-1-hexyl-3,4-diphenylpyrrolidin-1-ium Traditional Name: (3S,4S)-1-hexyl-3,4-diphenyl-pyrrolidin-1-ium Formula: C22H30N+ MolecularWeight: 308.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+]1CC(C(C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[NH+]1C[C@@H]([C@H](C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N/c1-2-3-4-11-16-23-17-21(19-12-7-5-8-13-19)22(18-23)20-14-9-6-10-15-20/h5-10,12-15,21-22H,2-4,11,16-18H2,1H3/p+1/t21-,22-/m1/s1