N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H29N3O2/c30-25(20-14-16-29(17-15-20)18-19-6-2-1-3-7-19)27-22-12-10-21(11-13-22)26-28-23-8-4-5-9-24(23)31-26/h1-2,4-5,8-13,19-20H,3,6-7,14-18H2,(H,27,30)/p+1/t19-/m1/s1