(3S,5S)-3,5-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium CAS Name: (3S,5S)-3,5-dimethyl-1-(1-phenethyl-4-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium Traditional Name: (3S,5S)-3,5-dimethyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C20H32N2/c1-17-14-18(2)16-22(15-17)20-9-12-21(13-10-20)11-8-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3/p+2/t17-,18-/m0/s1