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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CCC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C16H26N2/c1-14-9-11-18(12-10-14)16(13-17)8-7-15-5-3-2-4-6-15/h2-6,14,16H,7-13,17H2,1H3/p+2/t16-/m0/s1