(1S)-2-(4-methylpiperidin-1-ium-1-yl)-1-(4-propylphenyl)ethanamine

Systemtic Name: (1S)-2-(4-methylpiperidin-1-ium-1-yl)-1-(4-propylphenyl)ethanamine Openeye Name: (1S)-2-(4-methylpiperidin-1-ium-1-yl)-1-(4-propylphenyl)ethanamine CAS Name: (1S)-2-(4-methyl-1-piperidin-1-iumyl)-1-(4-propylphenyl)ethanamine IUPAC Name: (1S)-2-(4-methylpiperidin-1-ium-1-yl)-1-(4-propylphenyl)ethanamine Traditional Name: [(1S)-2-(4-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+]2CCC(CC2)C)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2CCC(CC2)C)N

InChI

InChI=1S/C17H28N2/c1-3-4-15-5-7-16(8-6-15)17(18)13-19-11-9-14(2)10-12-19/h5-8,14,17H,3-4,9-13,18H2,1-2H3/p+1/t17-/m1/s1