3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-phenethyl-azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-phenethyl-azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-phenethyl-ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-phenethylammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-phenethylazanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-phenethyl-ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-16-8-5-6-14-19(16)15-7-12-18-13-11-17-9-3-2-4-10-17/h2-4,9-10,16,18H,5-8,11-15H2,1H3/p+2/t16-/m0/s1