(2,3,4,5,6-pentamethylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (2,3,4,5,6-pentamethylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: (2,3,4,5,6-pentamethylphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,3,4,5,6-pentamethylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (2,3,4,5,6-pentamethylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C17H26NO+ MolecularWeight: 260.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)C2CCC[NH2+]C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)[C@H]2CCC[NH2+]C2)C)C

InChI

InChI=1S/C17H25NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)15-7-6-8-18-9-15/h15,18H,6-9H2,1-5H3/p+1/t15-/m0/s1