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

Systemtic Name: (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxyphenyl)-[4-[(1R,3S)-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=C3OC

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H28N2O2/c1-15-6-5-7-16(14-15)20-10-12-21(13-11-20)19(22)17-8-3-4-9-18(17)23-2/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3/p+1/t15-,16+/m0/s1