1-(3-phenylpropyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium

Systemtic Name: 1-(3-phenylpropyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-(3-phenylpropyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-(3-phenylpropyl)-4-[[(2S)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-(3-phenylpropyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-(3-phenylpropyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H29N3/c1-2-6-17(7-3-1)8-5-11-20-12-14-21(15-13-20)16-18-9-4-10-19-18/h1-3,6-7,18-19H,4-5,8-16H2/p+2/t18-/m0/s1