[(3S)-3-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(2,5-dimethylphenyl)-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC[NH3+])[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CC[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2/c1-13-6-7-14(2)15(12-13)16(8-9-17)18-10-4-3-5-11-18/h6-7,12,16H,3-5,8-11,17H2,1-2H3/p+2/t16-/m0/s1