[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N3O2/c29-25(21-10-8-19(9-11-21)18-27-14-4-1-5-15-27)28-16-12-20(13-17-28)24-26-22-6-2-3-7-23(22)30-24/h2-3,6-11,20H,1,4-5,12-18H2/p+1