[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H25N3O/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)17(21)15-5-7-18-8-6-15/h5-8,14,16H,2-4,9-13H2,1H3/p+1/t14-,16+/m1/s1