3-(1,3-benzoxazol-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N3O2/c1-18(2)20-9-7-19(8-10-20)17-26-13-15-27(16-14-26)24(28)12-11-23-25-21-5-3-4-6-22(21)29-23/h3-10,18H,11-17H2,1-2H3/p+1