1-(phenylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-benzyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[[(2S)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C16H27N3+2 MolecularWeight: 261.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H25N3/c1-2-5-15(6-3-1)13-18-9-11-19(12-10-18)14-16-7-4-8-17-16/h1-3,5-6,16-17H,4,7-14H2/p+2/t16-/m0/s1