[(1R,2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(4-methyl-1-piperidin-1-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(4-methylpiperidin-1-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])[NH+]2CCC(CC2)C

Isomeric SMILES

CC[C@H]([C@@H](C1=CC=CC=C1)[NH3+])[NH+]2CCC(CC2)C

InChI

InChI=1S/C16H26N2/c1-3-15(18-11-9-13(2)10-12-18)16(17)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/p+2/t15-,16-/m1/s1