(1S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine

Systemtic Name: (1S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-1-(4-isopropylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-p-cumenyl-ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(C2=CC=C(C=C2)C(C)C)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](C2=CC=C(C=C2)C(C)C)N

InChI

InChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)17(18)12-19-11-5-4-6-14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3/p+1/t14-,17+/m0/s1