(1S)-2-(azocan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(2,5-dimethylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C17H28N2/c1-14-8-9-15(2)16(12-14)17(18)13-19-10-6-4-3-5-7-11-19/h8-9,12,17H,3-7,10-11,13,18H2,1-2H3/p+1/t17-/m1/s1