[(3S)-3-(4-tert-butylphenyl)-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(4-tert-butylphenyl)-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(4-tert-butylphenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(4-tert-butylphenyl)-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-tert-butylphenyl)-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(4-tert-butylphenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-18(2,3)16-9-7-15(8-10-16)17(11-12-19)20-13-5-4-6-14-20/h7-10,17H,4-6,11-14,19H2,1-3H3/p+2/t17-/m0/s1