(1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine

Systemtic Name: (1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Openeye Name: (1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine CAS Name: (1S)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-(4-propylphenyl)ethanamine IUPAC Name: (1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethanamine Traditional Name: [(1S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-propylphenyl)ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C[NH+]2CCCC(C2)C)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2CCC[C@H](C2)C)N

InChI

InChI=1S/C17H28N2/c1-3-5-15-7-9-16(10-8-15)17(18)13-19-11-4-6-14(2)12-19/h7-10,14,17H,3-6,11-13,18H2,1-2H3/p+1/t14-,17-/m1/s1