(2S)-4-methyl-2-phenyl-1-(piperidin-1-ium-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: (2S)-4-methyl-2-phenyl-1-(piperidin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: (2S)-4-methyl-2-phenyl-1-(piperidin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: (2S)-4-methyl-2-phenyl-1-(4-piperidin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: (2S)-4-methyl-2-phenyl-1-(piperidin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: (2S)-4-methyl-2-phenyl-1-(piperidin-1-ium-4-ylmethyl)piperazine-1,4-diium Formula: C17H30N3+3 MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CC3CC[NH2+]CC3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CC3CC[NH2+]CC3

InChI

InChI=1S/C17H27N3/c1-19-11-12-20(13-15-7-9-18-10-8-15)17(14-19)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3/p+3/t17-/m1/s1