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

Systemtic Name: [(3S)-3-piperidin-1-ium-1-yl-3-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: [(3S)-3-(4-isopropylphenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(1-piperidin-1-iumyl)-3-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-piperidin-1-ium-1-yl-3-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: [(3S)-3-p-cumenyl-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-14(2)15-6-8-16(9-7-15)17(10-11-18)19-12-4-3-5-13-19/h6-9,14,17H,3-5,10-13,18H2,1-2H3/p+2/t17-/m0/s1