[(3S)-3-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(4-isopropylphenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(4-propan-2-ylphenyl)-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-p-cumenyl-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC[NH3+])[NH+]2CCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CC[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C16H26N2/c1-13(2)14-5-7-15(8-6-14)16(9-10-17)18-11-3-4-12-18/h5-8,13,16H,3-4,9-12,17H2,1-2H3/p+2/t16-/m0/s1