1-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(1S,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O/c1-16-6-5-9-18(14-16)20-10-12-21(13-11-20)19(22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/p+1/t16-,18-/m0/s1