(4-butylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-butylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (4-butylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: (4-butylphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-butylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (4-butylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H23NO/c1-2-3-5-13-7-9-14(10-8-13)16(18)15-6-4-11-17-12-15/h7-10,15,17H,2-6,11-12H2,1H3/p+1/t15-/m0/s1