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

Systemtic Name: 3-[4-oxidanylidene-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-oxo-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-4-keto-butyl]-1,3-benzoxazol-2-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H31N3O3/c1-19(2)21-11-9-20(10-12-21)18-26-14-16-27(17-15-26)24(29)8-5-13-28-22-6-3-4-7-23(22)31-25(28)30/h3-4,6-7,9-12,19H,5,8,13-18H2,1-2H3/p+1