(2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CN=CC=C5

InChI

InChI=1S/C24H28N4O2/c29-24(28-13-11-27(12-14-28)17-18-5-4-10-25-16-18)20-8-9-21-22(15-20)30-23(26-21)19-6-2-1-3-7-19/h4-5,8-10,15-16,19H,1-3,6-7,11-14,17H2/p+1