2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3H-isoindol-2-ium-1-yl]amine Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C16H22N2/c1-11-6-5-9-15(12(11)2)18-10-13-7-3-4-8-14(13)16(18)17/h3-4,7-8,11-12,15,17H,5-6,9-10H2,1-2H3/p+1/t11-,12+,15+/m0/s1