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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC3CCC[NH2+]3

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C16H25N3/c1-18-10-11-19(12-15-8-5-9-17-15)16(13-18)14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3/p+2/t15-,16+/m0/s1