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

Systemtic Name: (3-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-15-5-3-7-17(13-15)20-9-11-21(12-10-20)19(22)16-6-4-8-18(14-16)23-2/h4,6,8,14-15,17H,3,5,7,9-13H2,1-2H3/p+1/t15-,17+/m1/s1