[4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[(1R,2S)-2-methoxycyclohexyl]-1-piperazin-4-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-23-16-7-5-6-15(14-16)19(22)21-12-10-20(11-13-21)17-8-3-4-9-18(17)24-2/h5-7,14,17-18H,3-4,8-13H2,1-2H3/p+1/t17-,18+/m1/s1