N-[2-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide

Systemtic Name: N-[2-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide Openeye Name: N-[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide CAS Name: N-[2-[(3S)-3-carbamoyl-1-piperidin-1-iumyl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide IUPAC Name: N-[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide Traditional Name: N-[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)NCC[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)NCC[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C22H30N4O3/c23-20(27)17-7-4-11-26(14-17)12-10-24-21(28)16-8-9-18-19(13-16)29-22(25-18)15-5-2-1-3-6-15/h8-9,13,15,17H,1-7,10-12,14H2,(H2,23,27)(H,24,28)/p+1/t17-/m0/s1