4-butyl-N-[(3S)-piperidin-1-ium-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[(3S)-piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[(3S)-piperidin-1-ium-3-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[(3S)-3-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[(3S)-piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[(3S)-piperidin-1-ium-3-yl]cyclohexanecarboxamide Formula: C16H31N2O+ MolecularWeight: 267.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2CCC[NH2+]C2

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H30N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h13-15,17H,2-12H2,1H3,(H,18,19)/p+1/t13?,14?,15-/m0/s1