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

Systemtic Name: 1-phenethyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-phenethyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-phenethyl-4-[[(2S)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-phenethyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-phenethyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H27N3/c1-2-5-16(6-3-1)8-10-19-11-13-20(14-12-19)15-17-7-4-9-18-17/h1-3,5-6,17-18H,4,7-15H2/p+2/t17-/m0/s1