2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3H-isoindol-2-ium-1-yl]amine Formula: C17H27N3+2 MolecularWeight: 273.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C17H25N3/c1-14-7-4-5-10-19(14)11-6-12-20-13-15-8-2-3-9-16(15)17(20)18/h2-3,8-9,14,18H,4-7,10-13H2,1H3/p+2/t14-/m0/s1