(3R)-3-imidazol-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (3R)-3-imidazol-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (3R)-3-imidazol-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: (3R)-3-(1-imidazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: (3R)-3-imidazol-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (3R)-3-imidazol-1-yl-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C=CN=C3

Isomeric SMILES

C[C@H](CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C=CN=C3

InChI

InChI=1S/C16H21N5O/c1-14(21-7-6-17-13-21)12-16(22)20-10-8-19(9-11-20)15-4-2-3-5-18-15/h2-7,13-14H,8-12H2,1H3/p+1/t14-/m1/s1