(2R)-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium

Systemtic Name: (2R)-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Openeye Name: (2R)-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium CAS Name: (2R)-2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]azepan-1-ium IUPAC Name: (2R)-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Traditional Name: (2R)-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Formula: C13H30N3+3 MolecularWeight: 228.3974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2CCCCC[NH2+]2

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C[C@H]2CCCCC[NH2+]2

InChI

InChI=1S/C13H27N3/c1-2-15-8-10-16(11-9-15)12-13-6-4-3-5-7-14-13/h13-14H,2-12H2,1H3/p+3/t13-/m1/s1