N-[[(3R)-piperidin-1-ium-3-yl]methyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[(3R)-piperidin-1-ium-3-yl]methyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]benzamide CAS Name: N-[[(3R)-3-piperidin-1-iumyl]methyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[(3R)-piperidin-1-ium-3-yl]methyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]benzamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NCC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-12(2)14-5-7-15(8-6-14)16(19)18-11-13-4-3-9-17-10-13/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1