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

Systemtic Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O/c1-15-6-5-9-17(14-15)19-10-12-20(13-11-19)18(21)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3/p+1/t15-,17+/m1/s1