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

Systemtic Name: 3-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(1R,2S)-2-methylcyclohexyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[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=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-14-5-2-3-8-17(14)20-11-9-19(10-12-20)16-7-4-6-15(18)13-16/h4,6-7,13-14,17H,2-3,5,8-12,18H2,1H3/p+1/t14-,17+/m0/s1