1-[(1R,2S)-2-methoxycyclohexyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium CAS Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CO[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O/c1-21-18-10-6-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/p+1/t17-,18+/m1/s1