5-[(2S)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine

Systemtic Name: 5-[(2S)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine Openeye Name: 5-[(2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine CAS Name: 5-[(2S)-1-methyl-1-(phenylmethyl)-2-pyrrolidin-1-iumyl]-2-pyridin-1-iumamine IUPAC Name: 5-[(2S)-1-benzyl-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine Traditional Name: [5-[(2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium-2-yl]amine Formula: C17H23N3+2 MolecularWeight: 269.38462

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2=C[NH+]=C(C=C2)N)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCC[C@H]1C2=C[NH+]=C(C=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N3/c1-20(13-14-6-3-2-4-7-14)11-5-8-16(20)15-9-10-17(18)19-12-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H2,18,19)/q+1/p+1/t16-,20?/m0/s1