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

Systemtic Name: 2-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[(1R,2S)-2-methylcyclohexyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C3=CC=CC=C3N

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)C3=CC=CC=C3N

InChI

InChI=1S/C17H27N3/c1-14-6-2-4-8-16(14)19-10-12-20(13-11-19)17-9-5-3-7-15(17)18/h3,5,7,9,14,16H,2,4,6,8,10-13,18H2,1H3/p+1/t14-,16+/m0/s1