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

Systemtic Name: (4-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-15-4-3-5-17(14-15)20-10-12-21(13-11-20)19(22)16-6-8-18(23-2)9-7-16/h6-9,15,17H,3-5,10-14H2,1-2H3/p+1/t15-,17+/m1/s1