(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)19(22)16-7-9-17(23-2)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3/p+1/t15-,18+/m0/s1