(1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine

Systemtic Name: (1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-1-(4-isopropylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamine CAS Name: (1S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-2-[(3S)-3-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:

CC1CCC[NH+](C1)CC(C2=CC=C(C=C2)C(C)C)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](C2=CC=C(C=C2)C(C)C)N

InChI

InChI=1S/C17H28N2/c1-13(2)15-6-8-16(9-7-15)17(18)12-19-10-4-5-14(3)11-19/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3/p+1/t14-,17+/m0/s1