(2R)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2R)-2-(1-azepan-1-iumyl)-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-1-piperazino-2-(3-pyridyl)ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CN=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CN=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H26N4O/c22-17(21-12-8-18-9-13-21)16(15-6-5-7-19-14-15)20-10-3-1-2-4-11-20/h5-7,14,16,18H,1-4,8-13H2/p+1/t16-/m1/s1