phenyl-[(2S,4S)-1-phenyl-2-propan-2-yl-piperidin-1-ium-4-yl]azanium

Systemtic Name: phenyl-[(2S,4S)-1-phenyl-2-propan-2-yl-piperidin-1-ium-4-yl]azanium Openeye Name: [(2S,4S)-2-isopropyl-1-phenyl-piperidin-1-ium-4-yl]-phenyl-ammonium CAS Name: phenyl-[(2S,4S)-1-phenyl-2-propan-2-yl-4-piperidin-1-iumyl]ammonium IUPAC Name: phenyl-[(2S,4S)-1-phenyl-2-propan-2-ylpiperidin-1-ium-4-yl]azanium Traditional Name: [(2S,4S)-2-isopropyl-1-phenyl-piperidin-1-ium-4-yl]-phenyl-ammonium Formula: C20H28N2+2 MolecularWeight: 296.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CC[NH+]1C2=CC=CC=C2)[NH2+]C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H]1C[C@H](CC[NH+]1C2=CC=CC=C2)[NH2+]C3=CC=CC=C3

InChI

InChI=1S/C20H26N2/c1-16(2)20-15-18(21-17-9-5-3-6-10-17)13-14-22(20)19-11-7-4-8-12-19/h3-12,16,18,20-21H,13-15H2,1-2H3/p+2/t18-,20-/m0/s1