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

Systemtic Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Openeye Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone CAS Name: [4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Traditional Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-(2-phenethyl-1,3-benzoxazol-5-yl)methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CC1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C24H27N3O2/c28-24(27-14-12-26(13-15-27)17-19-6-7-19)20-9-10-22-21(16-20)25-23(29-22)11-8-18-4-2-1-3-5-18/h1-5,9-10,16,19H,6-8,11-15,17H2/p+1