[4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone

Systemtic Name: [4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Openeye Name: [4-(4-ethylpiperazin-4-ium-1-yl)-1-piperidyl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone CAS Name: [4-(4-ethyl-1-piperazin-4-iumyl)-1-piperidinyl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)piperidino]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-2-29-16-18-30(19-17-29)23-12-14-31(15-13-23)27(32)22-9-10-25-24(20-22)28-26(33-25)11-8-21-6-4-3-5-7-21/h3-7,9-10,20,23H,2,8,11-19H2,1H3/p+1